1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene

C24H23ClO — CID 174401977

IUPAC1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene
SMILESClc1ccc(COc2ccc(-c3ccccc3C3CCCC3)cc2)cc1
InChIInChI=1S/C24H23ClO/c25-21-13-9-18(10-14-21)17-26-22-15-11-20(12-16-22)24-8-4-3-7-23(24)19-5-1-2-6-19/h3-4,7-16,19H,1-2,5-6,17H2
InChIKeySWAZXKNKXYNNEG-UHFFFAOYSA-N
MW362.90 g/mol
LogP7.24
Rot. Bonds5

About 1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene

1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene (PubChem CID 174401977) has the molecular formula C24H23ClO and a molecular weight of 362.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene
PubChem CID174401977
Molecular FormulaC24H23ClO
Molecular Weight362.90 g/mol
Exact Mass362.14
IUPAC Name1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene
SMILESClc1ccc(COc2ccc(-c3ccccc3C3CCCC3)cc2)cc1
InChIInChI=1S/C24H23ClO/c25-21-13-9-18(10-14-21)17-26-22-15-11-20(12-16-22)24-8-4-3-7-23(24)19-5-1-2-6-19/h3-4,7-16,19H,1-2,5-6,17H2
InChIKeySWAZXKNKXYNNEG-UHFFFAOYSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.90
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene (CID 174401977) is 1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene is Clc1ccc(COc2ccc(-c3ccccc3C3CCCC3)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene?
The InChIKey is SWAZXKNKXYNNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClO/c25-21-13-9-18(10-14-21)17-26-22-15-11-20(12-16-22)24-8-4-3-7-23(24)19-5-1-2-6-19/h3-4,7-16,19H,1-2,5-6,17H2.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene?
1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene has a molecular weight of 362.90 g/mol, XLogP of 7.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene is sourced from PubChem (CID 174401977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).