2-chloro-4-(1-phenylethyl)phenol

C14H13ClO — CID 3019069

IUPAC2-chloro-4-(1-phenylethyl)phenol
SMILESCC(c1ccccc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H13ClO/c1-10(11-5-3-2-4-6-11)12-7-8-14(16)13(15)9-12/h2-10,16H,1H3
InChIKeyLMEXXUGPTZYJQU-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.20
Rot. Bonds2

About 2-chloro-4-(1-phenylethyl)phenol

2-chloro-4-(1-phenylethyl)phenol (PubChem CID 3019069) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-4-(1-phenylethyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(1-phenylethyl)phenol
PubChem CID3019069
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name2-chloro-4-(1-phenylethyl)phenol
SMILESCC(c1ccccc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H13ClO/c1-10(11-5-3-2-4-6-11)12-7-8-14(16)13(15)9-12/h2-10,16H,1H3
InChIKeyLMEXXUGPTZYJQU-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-phenylethyl)phenol?
The IUPAC name of 2-chloro-4-(1-phenylethyl)phenol (CID 3019069) is 2-chloro-4-(1-phenylethyl)phenol.
What is the SMILES notation for 2-chloro-4-(1-phenylethyl)phenol?
The canonical SMILES for 2-chloro-4-(1-phenylethyl)phenol is CC(c1ccccc1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(1-phenylethyl)phenol?
The InChIKey is LMEXXUGPTZYJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-10(11-5-3-2-4-6-11)12-7-8-14(16)13(15)9-12/h2-10,16H,1H3.
What are the key properties of 2-chloro-4-(1-phenylethyl)phenol?
2-chloro-4-(1-phenylethyl)phenol has a molecular weight of 232.71 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-phenylethyl)phenol is sourced from PubChem (CID 3019069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).