2,6-dichloro-3-(2-phenylethyl)phenol

C14H12Cl2O — CID 3013331

IUPAC2,6-dichloro-3-(2-phenylethyl)phenol
SMILESOc1c(Cl)ccc(CCc2ccccc2)c1Cl
InChIInChI=1S/C14H12Cl2O/c15-12-9-8-11(13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2
InChIKeyWQPCLLKHKQIJRZ-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.48
Rot. Bonds3

About 2,6-dichloro-3-(2-phenylethyl)phenol

2,6-dichloro-3-(2-phenylethyl)phenol (PubChem CID 3013331) has the molecular formula C14H12Cl2O and a molecular weight of 267.16 g/mol. Its IUPAC name is 2,6-dichloro-3-(2-phenylethyl)phenol.

Molecular Properties

Compound Name2,6-dichloro-3-(2-phenylethyl)phenol
PubChem CID3013331
Molecular FormulaC14H12Cl2O
Molecular Weight267.16 g/mol
Exact Mass266.03
IUPAC Name2,6-dichloro-3-(2-phenylethyl)phenol
SMILESOc1c(Cl)ccc(CCc2ccccc2)c1Cl
InChIInChI=1S/C14H12Cl2O/c15-12-9-8-11(13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2
InChIKeyWQPCLLKHKQIJRZ-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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(2-phenylethyl)phenol?
The IUPAC name of 2,6-dichloro-3-(2-phenylethyl)phenol (CID 3013331) is 2,6-dichloro-3-(2-phenylethyl)phenol.
What is the SMILES notation for 2,6-dichloro-3-(2-phenylethyl)phenol?
The canonical SMILES for 2,6-dichloro-3-(2-phenylethyl)phenol is Oc1c(Cl)ccc(CCc2ccccc2)c1Cl.
What is the InChIKey of 2,6-dichloro-3-(2-phenylethyl)phenol?
The InChIKey is WQPCLLKHKQIJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O/c15-12-9-8-11(13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2.
What are the key properties of 2,6-dichloro-3-(2-phenylethyl)phenol?
2,6-dichloro-3-(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 2,6-dichloro-3-(2-phenylethyl)phenol is sourced from PubChem (CID 3013331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).