cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol

C21H26O3 — CID 139705959

IUPACcis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@H]1c1c(O[C@H]2CCCCO2)ccc2ccccc12
InChIInChI=1S/C21H26O3/c22-18-10-4-3-9-17(18)21-16-8-2-1-7-15(16)12-13-19(21)24-20-11-5-6-14-23-20/h1-2,7-8,12-13,17-18,20,22H,3-6,9-11,14H2/t17-,18+,20+/m1/s1
InChIKeyPTXLETKSMLGQTI-HBFSDRIKSA-N
MW326.44 g/mol
LogP4.76
Rot. Bonds3

About cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol

cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol (PubChem CID 139705959) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol
PubChem CID139705959
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Namecis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@H]1c1c(O[C@H]2CCCCO2)ccc2ccccc12
InChIInChI=1S/C21H26O3/c22-18-10-4-3-9-17(18)21-16-8-2-1-7-15(16)12-13-19(21)24-20-11-5-6-14-23-20/h1-2,7-8,12-13,17-18,20,22H,3-6,9-11,14H2/t17-,18+,20+/m1/s1
InChIKeyPTXLETKSMLGQTI-HBFSDRIKSA-N
XLogP4.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol
CID 139705954
cis-(1S,2S)-2-[2-(methylsulfanylmethoxy)naphthalen-1-yl]cyclohexan-1-ol
CID 139705915
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
cis-(1R,2R)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139706022
cis-(1S,2S)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139705882
cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol
CID 139705994
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
(2S)-2-(2-ethynylphenoxy)oxane
CID 86326828
2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane
CID 15701095
2-hydroxyimino-2-[2-(oxan-2-yloxy)phenyl]acetic acid
CID 140985567
2-(2-ethenylphenoxy)oxecane
CID 139905565

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol (CID 139705959) is cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol is O[C@H]1CCCC[C@H]1c1c(O[C@H]2CCCCO2)ccc2ccccc12.
What is the InChIKey of cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol?
The InChIKey is PTXLETKSMLGQTI-HBFSDRIKSA-N. The full InChI is InChI=1S/C21H26O3/c22-18-10-4-3-9-17(18)21-16-8-2-1-7-15(16)12-13-19(21)24-20-11-5-6-14-23-20/h1-2,7-8,12-13,17-18,20,22H,3-6,9-11,14H2/t17-,18+,20+/m1/s1.
What are the key properties of cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol?
cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol has a molecular weight of 326.44 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[2-[(2S)-oxan-2-yl]oxynaphthalen-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 139705959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).