1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene

C28H32O3 — CID 3067166

IUPAC1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C28H32O3/c1-28(2,23-15-17-26(18-16-23)30-24-12-6-7-13-24)21-29-20-22-9-8-14-27(19-22)31-25-10-4-3-5-11-25/h3-5,8-11,14-19,24H,6-7,12-13,20-21H2,1-2H3
InChIKeyJTCSHPOHPLGJGC-UHFFFAOYSA-N
MW416.56 g/mol
LogP7.29
Rot. Bonds9

About 1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene

1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (PubChem CID 3067166) has the molecular formula C28H32O3 and a molecular weight of 416.56 g/mol. Its IUPAC name is 1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.

Molecular Properties

Compound Name1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
PubChem CID3067166
Molecular FormulaC28H32O3
Molecular Weight416.56 g/mol
Exact Mass416.24
IUPAC Name1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C28H32O3/c1-28(2,23-15-17-26(18-16-23)30-24-12-6-7-13-24)21-29-20-22-9-8-14-27(19-22)31-25-10-4-3-5-11-25/h3-5,8-11,14-19,24H,6-7,12-13,20-21H2,1-2H3
InChIKeyJTCSHPOHPLGJGC-UHFFFAOYSA-N
XLogP7.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.56
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The IUPAC name of 1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (CID 3067166) is 1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.
What is the SMILES notation for 1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The canonical SMILES for 1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The InChIKey is JTCSHPOHPLGJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O3/c1-28(2,23-15-17-26(18-16-23)30-24-12-6-7-13-24)21-29-20-22-9-8-14-27(19-22)31-25-10-4-3-5-11-25/h3-5,8-11,14-19,24H,6-7,12-13,20-21H2,1-2H3.
What are the key properties of 1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene has a molecular weight of 416.56 g/mol, XLogP of 7.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is sourced from PubChem (CID 3067166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).