1,5-bis(2-chlorophenyl)pentan-3-ol

C17H18Cl2O — CID 171352282

IUPAC1,5-bis(2-chlorophenyl)pentan-3-ol
SMILESOC(CCc1ccccc1Cl)CCc1ccccc1Cl
InChIInChI=1S/C17H18Cl2O/c18-16-7-3-1-5-13(16)9-11-15(20)12-10-14-6-2-4-8-17(14)19/h1-8,15,20H,9-12H2
InChIKeyYLJTVUGHPRLEGH-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.92
Rot. Bonds6

About 1,5-bis(2-chlorophenyl)pentan-3-ol

1,5-bis(2-chlorophenyl)pentan-3-ol (PubChem CID 171352282) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 1,5-bis(2-chlorophenyl)pentan-3-ol.

Molecular Properties

Compound Name1,5-bis(2-chlorophenyl)pentan-3-ol
PubChem CID171352282
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name1,5-bis(2-chlorophenyl)pentan-3-ol
SMILESOC(CCc1ccccc1Cl)CCc1ccccc1Cl
InChIInChI=1S/C17H18Cl2O/c18-16-7-3-1-5-13(16)9-11-15(20)12-10-14-6-2-4-8-17(14)19/h1-8,15,20H,9-12H2
InChIKeyYLJTVUGHPRLEGH-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,5-bis(2-chlorophenyl)pentan-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-chlorophenyl)pentan-3-ol?
The IUPAC name of 1,5-bis(2-chlorophenyl)pentan-3-ol (CID 171352282) is 1,5-bis(2-chlorophenyl)pentan-3-ol.
What is the SMILES notation for 1,5-bis(2-chlorophenyl)pentan-3-ol?
The canonical SMILES for 1,5-bis(2-chlorophenyl)pentan-3-ol is OC(CCc1ccccc1Cl)CCc1ccccc1Cl.
What is the InChIKey of 1,5-bis(2-chlorophenyl)pentan-3-ol?
The InChIKey is YLJTVUGHPRLEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c18-16-7-3-1-5-13(16)9-11-15(20)12-10-14-6-2-4-8-17(14)19/h1-8,15,20H,9-12H2.
What are the key properties of 1,5-bis(2-chlorophenyl)pentan-3-ol?
1,5-bis(2-chlorophenyl)pentan-3-ol has a molecular weight of 309.24 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-chlorophenyl)pentan-3-ol is sourced from PubChem (CID 171352282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).