1-(4-chlorophenyl)-1-phenylethanol

C14H13ClO — CID 14189996

IUPAC1-(4-chlorophenyl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClO/c1-14(16,11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,16H,1H3
InChIKeyMHJLXHJZQCHSIT-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.60
Rot. Bonds2

About 1-(4-chlorophenyl)-1-phenylethanol

1-(4-chlorophenyl)-1-phenylethanol (PubChem CID 14189996) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-phenylethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-phenylethanol
PubChem CID14189996
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name1-(4-chlorophenyl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClO/c1-14(16,11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,16H,1H3
InChIKeyMHJLXHJZQCHSIT-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-phenylethanol?
The IUPAC name of 1-(4-chlorophenyl)-1-phenylethanol (CID 14189996) is 1-(4-chlorophenyl)-1-phenylethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-phenylethanol?
The canonical SMILES for 1-(4-chlorophenyl)-1-phenylethanol is CC(O)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-phenylethanol?
The InChIKey is MHJLXHJZQCHSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-14(16,11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,16H,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-phenylethanol?
1-(4-chlorophenyl)-1-phenylethanol has a molecular weight of 232.71 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-phenylethanol is sourced from PubChem (CID 14189996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).