1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one

C10H11ClO2 — CID 130777645

IUPAC1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one
SMILESCC(=O)C(Cl)c1cc(C)ccc1O
InChIInChI=1S/C10H11ClO2/c1-6-3-4-9(13)8(5-6)10(11)7(2)12/h3-5,10,13H,1-2H3
InChIKeyJVCCNWCCSKJOIC-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.57
Rot. Bonds2

About 1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one

1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one (PubChem CID 130777645) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one
PubChem CID130777645
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one
SMILESCC(=O)C(Cl)c1cc(C)ccc1O
InChIInChI=1S/C10H11ClO2/c1-6-3-4-9(13)8(5-6)10(11)7(2)12/h3-5,10,13H,1-2H3
InChIKeyJVCCNWCCSKJOIC-UHFFFAOYSA-N
XLogP2.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-1-[2-(hydroxymethyl)-5-methylphenyl]propan-2-one
CID 130955433
1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one
CID 131010117
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469
(E)-3-[2-(1-chloro-2-oxopropyl)-4-methylphenyl]prop-2-enoic acid
CID 134616975
2-(1-chloro-2-oxopropyl)-5-methylbenzonitrile
CID 130780171
1-chloro-1-(4-iodo-2-methylphenyl)propan-2-one
CID 131034107
(5S)-5-(2-hydroxy-5-methylphenyl)-6-methylheptan-2-one
CID 14889909
2-chloro-2-(2,5-dimethylphenyl)acetyl chloride
CID 150440716
1-chloro-1-[4-(difluoromethyl)-2-hydroxyphenyl]propan-2-one
CID 131394353
4-(1-chloro-2-oxopropyl)-3-methylbenzaldehyde
CID 118807338
1-chloro-1-(2-chloro-4-hydroxyphenyl)propan-2-one
CID 131092330
(S)-hydroxy-(2-hydroxy-5-methylphenyl)methanesulfonic acid
CID 40592817

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one?
The IUPAC name of 1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one (CID 130777645) is 1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one.
What is the SMILES notation for 1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one?
The canonical SMILES for 1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one is CC(=O)C(Cl)c1cc(C)ccc1O.
What is the InChIKey of 1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one?
The InChIKey is JVCCNWCCSKJOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-6-3-4-9(13)8(5-6)10(11)7(2)12/h3-5,10,13H,1-2H3.
What are the key properties of 1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one?
1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one has a molecular weight of 198.65 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one is sourced from PubChem (CID 130777645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).