2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol

C15H14Cl2O — CID 58192695

IUPAC2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol
SMILESCc1c(Cl)cc(CCc2ccccc2)c(O)c1Cl
InChIInChI=1S/C15H14Cl2O/c1-10-13(16)9-12(15(18)14(10)17)8-7-11-5-3-2-4-6-11/h2-6,9,18H,7-8H2,1H3
InChIKeyBSWLMKLNTWHQKD-UHFFFAOYSA-N
MW281.18 g/mol
LogP4.79
Rot. Bonds3

About 2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol

2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol (PubChem CID 58192695) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol.

Molecular Properties

Compound Name2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol
PubChem CID58192695
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol
SMILESCc1c(Cl)cc(CCc2ccccc2)c(O)c1Cl
InChIInChI=1S/C15H14Cl2O/c1-10-13(16)9-12(15(18)14(10)17)8-7-11-5-3-2-4-6-11/h2-6,9,18H,7-8H2,1H3
InChIKeyBSWLMKLNTWHQKD-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol?
The IUPAC name of 2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol (CID 58192695) is 2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol.
What is the SMILES notation for 2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol?
The canonical SMILES for 2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol is Cc1c(Cl)cc(CCc2ccccc2)c(O)c1Cl.
What is the InChIKey of 2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol?
The InChIKey is BSWLMKLNTWHQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c1-10-13(16)9-12(15(18)14(10)17)8-7-11-5-3-2-4-6-11/h2-6,9,18H,7-8H2,1H3.
What are the key properties of 2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol?
2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol has a molecular weight of 281.18 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-methyl-6-(2-phenylethyl)phenol is sourced from PubChem (CID 58192695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).