1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol

C22H20Cl2O — CID 2003626

IUPAC1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2O/c23-20-12-8-18(9-13-20)22(25,19-10-14-21(24)15-11-19)16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15,25H,4,7,16H2
InChIKeyFIHGWIZBIUKYQQ-UHFFFAOYSA-N
MW371.31 g/mol
LogP6.25
Rot. Bonds6

About 1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol

1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol (PubChem CID 2003626) has the molecular formula C22H20Cl2O and a molecular weight of 371.31 g/mol. Its IUPAC name is 1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol
PubChem CID2003626
Molecular FormulaC22H20Cl2O
Molecular Weight371.31 g/mol
Exact Mass370.09
IUPAC Name1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2O/c23-20-12-8-18(9-13-20)22(25,19-10-14-21(24)15-11-19)16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15,25H,4,7,16H2
InChIKeyFIHGWIZBIUKYQQ-UHFFFAOYSA-N
XLogP6.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.31
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol?
The IUPAC name of 1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol (CID 2003626) is 1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol is OC(CCCc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol?
The InChIKey is FIHGWIZBIUKYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2O/c23-20-12-8-18(9-13-20)22(25,19-10-14-21(24)15-11-19)16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15,25H,4,7,16H2.
What are the key properties of 1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol?
1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol has a molecular weight of 371.31 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-chlorophenyl)-4-phenylbutan-1-ol is sourced from PubChem (CID 2003626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).