(2-iodo-3-methoxyphenyl)-phenylmethanone

C14H11IO2 — CID 134227112

IUPAC(2-iodo-3-methoxyphenyl)-phenylmethanone
SMILESCOc1cccc(C(=O)c2ccccc2)c1I
InChIInChI=1S/C14H11IO2/c1-17-12-9-5-8-11(13(12)15)14(16)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyJWYVHXWUVKPNLR-UHFFFAOYSA-N
MW338.14 g/mol
LogP3.53
Rot. Bonds3

About (2-iodo-3-methoxyphenyl)-phenylmethanone

(2-iodo-3-methoxyphenyl)-phenylmethanone (PubChem CID 134227112) has the molecular formula C14H11IO2 and a molecular weight of 338.14 g/mol. Its IUPAC name is (2-iodo-3-methoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-iodo-3-methoxyphenyl)-phenylmethanone
PubChem CID134227112
Molecular FormulaC14H11IO2
Molecular Weight338.14 g/mol
Exact Mass337.98
IUPAC Name(2-iodo-3-methoxyphenyl)-phenylmethanone
SMILESCOc1cccc(C(=O)c2ccccc2)c1I
InChIInChI=1S/C14H11IO2/c1-17-12-9-5-8-11(13(12)15)14(16)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyJWYVHXWUVKPNLR-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
2-iodo-3-methoxybenzoyl chloride
CID 14104555
2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid
CID 21217723
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
sodium;2-benzoyl-6-methoxybenzenesulfonoperoxoic acid;hydride
CID 173081340
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
methyl 4-(2-methoxybenzoyl)benzoate
CID 22408243
(2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
CID 114962795
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
(4-benzoylphenyl) 2-methoxybenzoate
CID 1234638
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590

Frequently Asked Questions

What is the IUPAC name of (2-iodo-3-methoxyphenyl)-phenylmethanone?
The IUPAC name of (2-iodo-3-methoxyphenyl)-phenylmethanone (CID 134227112) is (2-iodo-3-methoxyphenyl)-phenylmethanone.
What is the SMILES notation for (2-iodo-3-methoxyphenyl)-phenylmethanone?
The canonical SMILES for (2-iodo-3-methoxyphenyl)-phenylmethanone is COc1cccc(C(=O)c2ccccc2)c1I.
What is the InChIKey of (2-iodo-3-methoxyphenyl)-phenylmethanone?
The InChIKey is JWYVHXWUVKPNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO2/c1-17-12-9-5-8-11(13(12)15)14(16)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of (2-iodo-3-methoxyphenyl)-phenylmethanone?
(2-iodo-3-methoxyphenyl)-phenylmethanone has a molecular weight of 338.14 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-3-methoxyphenyl)-phenylmethanone is sourced from PubChem (CID 134227112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).