bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone

C37H38O5 — CID 67693091

IUPACbis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
SMILESCOc1ccc(-c2ccccc2C(=O)c2ccccc2-c2ccc(OC)c(OC3CCCC3)c2)cc1OC1CCCC1
InChIInChI=1S/C37H38O5/c1-39-33-21-19-25(23-35(33)41-27-11-3-4-12-27)29-15-7-9-17-31(29)37(38)32-18-10-8-16-30(32)26-20-22-34(40-2)36(24-26)42-28-13-5-6-14-28/h7-10,15-24,27-28H,3-6,11-14H2,1-2H3
InChIKeyQKTQLCVUJDISSS-UHFFFAOYSA-N
MW562.71 g/mol
LogP8.91
Rot. Bonds10

About bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone

bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone (PubChem CID 67693091) has the molecular formula C37H38O5 and a molecular weight of 562.71 g/mol. Its IUPAC name is bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Namebis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
PubChem CID67693091
Molecular FormulaC37H38O5
Molecular Weight562.71 g/mol
Exact Mass562.27
IUPAC Namebis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
SMILESCOc1ccc(-c2ccccc2C(=O)c2ccccc2-c2ccc(OC)c(OC3CCCC3)c2)cc1OC1CCCC1
InChIInChI=1S/C37H38O5/c1-39-33-21-19-25(23-35(33)41-27-11-3-4-12-27)29-15-7-9-17-31(29)37(38)32-18-10-8-16-30(32)26-20-22-34(40-2)36(24-26)42-28-13-5-6-14-28/h7-10,15-24,27-28H,3-6,11-14H2,1-2H3
InChIKeyQKTQLCVUJDISSS-UHFFFAOYSA-N
XLogP8.91
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.71
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]acetamide
CID 21472770
2-cyclopentyloxy-1-methoxy-4-(3-methoxyphenyl)benzene
CID 18778852
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol
CID 57267140
(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone
CID 54358933
3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine
CID 46204081
2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
CID 18778842
3-(3-cyclopentyloxy-4-methoxyphenyl)cyclopent-2-en-1-ol
CID 18957483
2-cyclopentyloxy-5-(3,4,5-trimethoxyphenyl)benzoic acid
CID 69110406
4-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroimidazol-2-one
CID 54226291
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2-oxazol-5-yl]ethanol
CID 118305351

Frequently Asked Questions

What is the IUPAC name of bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone?
The IUPAC name of bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone (CID 67693091) is bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone.
What is the SMILES notation for bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone?
The canonical SMILES for bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone is COc1ccc(-c2ccccc2C(=O)c2ccccc2-c2ccc(OC)c(OC3CCCC3)c2)cc1OC1CCCC1.
What is the InChIKey of bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone?
The InChIKey is QKTQLCVUJDISSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38O5/c1-39-33-21-19-25(23-35(33)41-27-11-3-4-12-27)29-15-7-9-17-31(29)37(38)32-18-10-8-16-30(32)26-20-22-34(40-2)36(24-26)42-28-13-5-6-14-28/h7-10,15-24,27-28H,3-6,11-14H2,1-2H3.
What are the key properties of bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone?
bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone has a molecular weight of 562.71 g/mol, XLogP of 8.91, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 67693091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).