[3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol

C170H268O20 — CID 158343051

IUPAC[3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol
SMILESCCCC(CCC)COc1cccc([C@@H](O)CCC)c1.CCCC(CCC)COc1cccc([C@H](O)CCC)c1.CCC[C@@H](O)c1cccc(OCC(CC)CC)c1.CCC[C@@H](O)c1cccc(OCC2CCCC2)c1.CCC[C@@H](O)c1cccc(OCC2CCCCC2)c1.CCC[C@@H](O)c1cccc(OCC2CCCCCC2)c1.CCC[C@H](O)c1cccc(OCC(CC)CC)c1.CCC[C@H](O)c1cccc(OCC2CCCC2)c1.CCC[C@H](O)c1cccc(OCC2CCCCC2)c1.CC[C@@H](C)Oc1cccc(OCC2CCCCCC2)c1
InChIInChI=1S/2C18H28O2.2C18H30O2.2C17H26O2.2C16H24O2.2C16H26O2/c1-3-15(2)20-18-12-8-11-17(13-18)19-14-16-9-6-4-5-7-10-16;1-2-8-18(19)16-11-7-12-17(13-16)20-14-15-9-5-3-4-6-10-15;2*1-4-8-15(9-5-2)14-20-17-12-7-11-16(13-17)18(19)10-6-3;2*1-2-7-17(18)15-10-6-11-16(12-15)19-13-14-8-4-3-5-9-14;2*1-2-6-16(17)14-9-5-10-15(11-14)18-12-13-7-3-4-8-13;2*1-4-8-16(17)14-9-7-10-15(11-14)18-12-13(5-2)6-3/h8,11-13,15-16H,3-7,9-10,14H2,1-2H3;7,11-13,15,18-19H,2-6,8-10,14H2,1H3;2*7,11-13,15,18-19H,4-6,8-10,14H2,1-3H3;2*6,10-12,14,17-18H,2-5,7-9,13H2,1H3;2*5,9-11,13,16-17H,2-4,6-8,12H2,1H3;2*7,9-11,13,16-17H,4-6,8,12H2,1-3H3/t15-;3*18-;2*17-;4*16-/m1110101010/s1
InChIKeyGRJSQEIBKKFAGD-MJXDOXMOSA-N
MW2631.99 g/mol
LogP46.12
Rot. Bonds72

About [3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol

[3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol (PubChem CID 158343051) has the molecular formula C170H268O20 and a molecular weight of 2631.99 g/mol. Its IUPAC name is [3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol.

Molecular Properties

Compound Name[3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol
PubChem CID158343051
Molecular FormulaC170H268O20
Molecular Weight2631.99 g/mol
Exact Mass2630.00
IUPAC Name[3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol
SMILESCCCC(CCC)COc1cccc([C@@H](O)CCC)c1.CCCC(CCC)COc1cccc([C@H](O)CCC)c1.CCC[C@@H](O)c1cccc(OCC(CC)CC)c1.CCC[C@@H](O)c1cccc(OCC2CCCC2)c1.CCC[C@@H](O)c1cccc(OCC2CCCCC2)c1.CCC[C@@H](O)c1cccc(OCC2CCCCCC2)c1.CCC[C@H](O)c1cccc(OCC(CC)CC)c1.CCC[C@H](O)c1cccc(OCC2CCCC2)c1.CCC[C@H](O)c1cccc(OCC2CCCCC2)c1.CC[C@@H](C)Oc1cccc(OCC2CCCCCC2)c1
InChIInChI=1S/2C18H28O2.2C18H30O2.2C17H26O2.2C16H24O2.2C16H26O2/c1-3-15(2)20-18-12-8-11-17(13-18)19-14-16-9-6-4-5-7-10-16;1-2-8-18(19)16-11-7-12-17(13-16)20-14-15-9-5-3-4-6-10-15;2*1-4-8-15(9-5-2)14-20-17-12-7-11-16(13-17)18(19)10-6-3;2*1-2-7-17(18)15-10-6-11-16(12-15)19-13-14-8-4-3-5-9-14;2*1-2-6-16(17)14-9-5-10-15(11-14)18-12-13-7-3-4-8-13;2*1-4-8-16(17)14-9-7-10-15(11-14)18-12-13(5-2)6-3/h8,11-13,15-16H,3-7,9-10,14H2,1-2H3;7,11-13,15,18-19H,2-6,8-10,14H2,1H3;2*7,11-13,15,18-19H,4-6,8-10,14H2,1-3H3;2*6,10-12,14,17-18H,2-5,7-9,13H2,1H3;2*5,9-11,13,16-17H,2-4,6-8,12H2,1H3;2*7,9-11,13,16-17H,4-6,8,12H2,1-3H3/t15-;3*18-;2*17-;4*16-/m1110101010/s1
InChIKeyGRJSQEIBKKFAGD-MJXDOXMOSA-N
XLogP46.12
TPSA283.60 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds72
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002631.99
LogP ≤ 546.12
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze [3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol?
The IUPAC name of [3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol (CID 158343051) is [3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol.
What is the SMILES notation for [3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol?
The canonical SMILES for [3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol is CCCC(CCC)COc1cccc([C@@H](O)CCC)c1.CCCC(CCC)COc1cccc([C@H](O)CCC)c1.CCC[C@@H](O)c1cccc(OCC(CC)CC)c1.CCC[C@@H](O)c1cccc(OCC2CCCC2)c1.CCC[C@@H](O)c1cccc(OCC2CCCCC2)c1.CCC[C@@H](O)c1cccc(OCC2CCCCCC2)c1.CCC[C@H](O)c1cccc(OCC(CC)CC)c1.CCC[C@H](O)c1cccc(OCC2CCCC2)c1.CCC[C@H](O)c1cccc(OCC2CCCCC2)c1.CC[C@@H](C)Oc1cccc(OCC2CCCCCC2)c1.
What is the InChIKey of [3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol?
The InChIKey is GRJSQEIBKKFAGD-MJXDOXMOSA-N. The full InChI is InChI=1S/2C18H28O2.2C18H30O2.2C17H26O2.2C16H24O2.2C16H26O2/c1-3-15(2)20-18-12-8-11-17(13-18)19-14-16-9-6-4-5-7-10-16;1-2-8-18(19)16-11-7-12-17(13-16)20-14-15-9-5-3-4-6-10-15;2*1-4-8-15(9-5-2)14-20-17-12-7-11-16(13-17)18(19)10-6-3;2*1-2-7-17(18)15-10-6-11-16(12-15)19-13-14-8-4-3-5-9-14;2*1-2-6-16(17)14-9-5-10-15(11-14)18-12-13-7-3-4-8-13;2*1-4-8-16(17)14-9-7-10-15(11-14)18-12-13(5-2)6-3/h8,11-13,15-16H,3-7,9-10,14H2,1-2H3;7,11-13,15,18-19H,2-6,8-10,14H2,1H3;2*7,11-13,15,18-19H,4-6,8-10,14H2,1-3H3;2*6,10-12,14,17-18H,2-5,7-9,13H2,1H3;2*5,9-11,13,16-17H,2-4,6-8,12H2,1H3;2*7,9-11,13,16-17H,4-6,8,12H2,1-3H3/t15-;3*18-;2*17-;4*16-/m1110101010/s1.
What are the key properties of [3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol?
[3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol has a molecular weight of 2631.99 g/mol, XLogP of 46.12, 72 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol is sourced from PubChem (CID 158343051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).