1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one

C10H11ClO2 — CID 118818873

IUPAC1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C10H11ClO2/c1-2-10(13)7-3-4-8(6-12)9(11)5-7/h3-5,12H,2,6H2,1H3
InChIKeyURFPEUKEMPYYTB-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.42
Rot. Bonds3

About 1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one

1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one (PubChem CID 118818873) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one
PubChem CID118818873
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C10H11ClO2/c1-2-10(13)7-3-4-8(6-12)9(11)5-7/h3-5,12H,2,6H2,1H3
InChIKeyURFPEUKEMPYYTB-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(hydroxymethyl)phenyl]-2-methylpropan-1-one
CID 58357330
1-[4-bromo-3-(hydroxymethyl)phenyl]propan-1-one
CID 118819058
1-(4-chloro-3-phenylphenyl)propan-1-one
CID 71113096
1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one
CID 54068106
1-(4-chloro-3-methylsulfanylphenyl)propan-1-one
CID 118854904
1-(3-chloro-4-pyrrol-1-ylphenyl)propan-1-one
CID 154702901
1-(3-chloro-1H-indol-6-yl)propan-1-one
CID 69029999
1-(3-ethyl-4-sulfanylphenyl)propan-1-one
CID 130877181
2-(4-acetyl-2-chlorophenyl)acetic acid
CID 23106770
3-chloro-4-(hydroxymethyl)benzenecarboximidamide
CID 102668142
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
fluoro 3-chloro-4-ethylbenzoate
CID 175246982

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one?
The IUPAC name of 1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one (CID 118818873) is 1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one?
The canonical SMILES for 1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one is CCC(=O)c1ccc(CO)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one?
The InChIKey is URFPEUKEMPYYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-2-10(13)7-3-4-8(6-12)9(11)5-7/h3-5,12H,2,6H2,1H3.
What are the key properties of 1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one?
1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one has a molecular weight of 198.65 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one is sourced from PubChem (CID 118818873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).