[3-(chloromethyl)phenyl]-phenylmethanone

C14H11ClO — CID 12677421

IUPAC[3-(chloromethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(CCl)c1
InChIInChI=1S/C14H11ClO/c15-10-11-5-4-8-13(9-11)14(16)12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyRKKKOHVIEUYSGK-UHFFFAOYSA-N
MW230.69 g/mol
LogP3.66
Rot. Bonds3

About [3-(chloromethyl)phenyl]-phenylmethanone

[3-(chloromethyl)phenyl]-phenylmethanone (PubChem CID 12677421) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is [3-(chloromethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-(chloromethyl)phenyl]-phenylmethanone
PubChem CID12677421
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name[3-(chloromethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(CCl)c1
InChIInChI=1S/C14H11ClO/c15-10-11-5-4-8-13(9-11)14(16)12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyRKKKOHVIEUYSGK-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)benzoate chloride
CID 22464899
1-(3-benzoylphenyl)propan-2-one;ethane
CID 144625692
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
(3-benzoyl-5-benzylphenyl)-phenylmethanone
CID 13496348
[3-(2-methoxyethyl)phenyl]-phenylmethanone
CID 91307514
1,2-diphenylethanone;diphenylmethanone
CID 141067729
diphenylmethanone
CID 3102
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838
[4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone
CID 71442703
3-(3-benzoylphenyl)propane-1-sulfonic acid
CID 142913640
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
bromomethylbenzene;diphenylmethanone
CID 159613438

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)phenyl]-phenylmethanone?
The IUPAC name of [3-(chloromethyl)phenyl]-phenylmethanone (CID 12677421) is [3-(chloromethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [3-(chloromethyl)phenyl]-phenylmethanone?
The canonical SMILES for [3-(chloromethyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1cccc(CCl)c1.
What is the InChIKey of [3-(chloromethyl)phenyl]-phenylmethanone?
The InChIKey is RKKKOHVIEUYSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c15-10-11-5-4-8-13(9-11)14(16)12-6-2-1-3-7-12/h1-9H,10H2.
What are the key properties of [3-(chloromethyl)phenyl]-phenylmethanone?
[3-(chloromethyl)phenyl]-phenylmethanone has a molecular weight of 230.69 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 12677421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).