4-chloro-3-methyl-2-(2-phenylethyl)phenol

C15H15ClO — CID 15007721

IUPAC4-chloro-3-methyl-2-(2-phenylethyl)phenol
SMILESCc1c(Cl)ccc(O)c1CCc1ccccc1
InChIInChI=1S/C15H15ClO/c1-11-13(15(17)10-9-14(11)16)8-7-12-5-3-2-4-6-12/h2-6,9-10,17H,7-8H2,1H3
InChIKeyFDFTZPSQIKUAMS-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.14
Rot. Bonds3

About 4-chloro-3-methyl-2-(2-phenylethyl)phenol

4-chloro-3-methyl-2-(2-phenylethyl)phenol (PubChem CID 15007721) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-chloro-3-methyl-2-(2-phenylethyl)phenol.

Molecular Properties

Compound Name4-chloro-3-methyl-2-(2-phenylethyl)phenol
PubChem CID15007721
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name4-chloro-3-methyl-2-(2-phenylethyl)phenol
SMILESCc1c(Cl)ccc(O)c1CCc1ccccc1
InChIInChI=1S/C15H15ClO/c1-11-13(15(17)10-9-14(11)16)8-7-12-5-3-2-4-6-12/h2-6,9-10,17H,7-8H2,1H3
InChIKeyFDFTZPSQIKUAMS-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-2-(2-phenylethyl)phenol?
The IUPAC name of 4-chloro-3-methyl-2-(2-phenylethyl)phenol (CID 15007721) is 4-chloro-3-methyl-2-(2-phenylethyl)phenol.
What is the SMILES notation for 4-chloro-3-methyl-2-(2-phenylethyl)phenol?
The canonical SMILES for 4-chloro-3-methyl-2-(2-phenylethyl)phenol is Cc1c(Cl)ccc(O)c1CCc1ccccc1.
What is the InChIKey of 4-chloro-3-methyl-2-(2-phenylethyl)phenol?
The InChIKey is FDFTZPSQIKUAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-11-13(15(17)10-9-14(11)16)8-7-12-5-3-2-4-6-12/h2-6,9-10,17H,7-8H2,1H3.
What are the key properties of 4-chloro-3-methyl-2-(2-phenylethyl)phenol?
4-chloro-3-methyl-2-(2-phenylethyl)phenol has a molecular weight of 246.74 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-2-(2-phenylethyl)phenol is sourced from PubChem (CID 15007721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).