3,5-dichloro-4-(2-phenylethyl)phenol

C14H12Cl2O — CID 67216100

IUPAC3,5-dichloro-4-(2-phenylethyl)phenol
SMILESOc1cc(Cl)c(CCc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H12Cl2O/c15-13-8-11(17)9-14(16)12(13)7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2
InChIKeyVXBRIQYUOODSPR-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.48
Rot. Bonds3

About 3,5-dichloro-4-(2-phenylethyl)phenol

3,5-dichloro-4-(2-phenylethyl)phenol (PubChem CID 67216100) has the molecular formula C14H12Cl2O and a molecular weight of 267.16 g/mol. Its IUPAC name is 3,5-dichloro-4-(2-phenylethyl)phenol.

Molecular Properties

Compound Name3,5-dichloro-4-(2-phenylethyl)phenol
PubChem CID67216100
Molecular FormulaC14H12Cl2O
Molecular Weight267.16 g/mol
Exact Mass266.03
IUPAC Name3,5-dichloro-4-(2-phenylethyl)phenol
SMILESOc1cc(Cl)c(CCc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H12Cl2O/c15-13-8-11(17)9-14(16)12(13)7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2
InChIKeyVXBRIQYUOODSPR-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-dichloro-4-(2-phenylethyl)phenol 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 3,5-dichloro-4-(2-phenylethyl)phenol?
The IUPAC name of 3,5-dichloro-4-(2-phenylethyl)phenol (CID 67216100) is 3,5-dichloro-4-(2-phenylethyl)phenol.
What is the SMILES notation for 3,5-dichloro-4-(2-phenylethyl)phenol?
The canonical SMILES for 3,5-dichloro-4-(2-phenylethyl)phenol is Oc1cc(Cl)c(CCc2ccccc2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(2-phenylethyl)phenol?
The InChIKey is VXBRIQYUOODSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O/c15-13-8-11(17)9-14(16)12(13)7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2.
What are the key properties of 3,5-dichloro-4-(2-phenylethyl)phenol?
3,5-dichloro-4-(2-phenylethyl)phenol has a molecular weight of 267.16 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2-phenylethyl)phenol is sourced from PubChem (CID 67216100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).