5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one

C18H19ClO2 — CID 161496887

IUPAC5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one
SMILESO=C(CCCc1ccc(Cl)cc1)Cc1ccccc1CO
InChIInChI=1S/C18H19ClO2/c19-17-10-8-14(9-11-17)4-3-7-18(21)12-15-5-1-2-6-16(15)13-20/h1-2,5-6,8-11,20H,3-4,7,12-13H2
InChIKeyDPQYSVJYBHCJPW-UHFFFAOYSA-N
MW302.80 g/mol
LogP3.97
Rot. Bonds7

About 5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one

5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one (PubChem CID 161496887) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one
PubChem CID161496887
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one
SMILESO=C(CCCc1ccc(Cl)cc1)Cc1ccccc1CO
InChIInChI=1S/C18H19ClO2/c19-17-10-8-14(9-11-17)4-3-7-18(21)12-15-5-1-2-6-16(15)13-20/h1-2,5-6,8-11,20H,3-4,7,12-13H2
InChIKeyDPQYSVJYBHCJPW-UHFFFAOYSA-N
XLogP3.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one?
The IUPAC name of 5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one (CID 161496887) is 5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one is O=C(CCCc1ccc(Cl)cc1)Cc1ccccc1CO.
What is the InChIKey of 5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one?
The InChIKey is DPQYSVJYBHCJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c19-17-10-8-14(9-11-17)4-3-7-18(21)12-15-5-1-2-6-16(15)13-20/h1-2,5-6,8-11,20H,3-4,7,12-13H2.
What are the key properties of 5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one?
5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one has a molecular weight of 302.80 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-[2-(hydroxymethyl)phenyl]pentan-2-one is sourced from PubChem (CID 161496887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).