(5-iodo-2-methoxyphenyl)-phenylmethanone

C14H11IO2 — CID 43161664

IUPAC(5-iodo-2-methoxyphenyl)-phenylmethanone
SMILESCOc1ccc(I)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H11IO2/c1-17-13-8-7-11(15)9-12(13)14(16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyGOZVPDPVFRNFNX-UHFFFAOYSA-N
MW338.14 g/mol
LogP3.53
Rot. Bonds3

About (5-iodo-2-methoxyphenyl)-phenylmethanone

(5-iodo-2-methoxyphenyl)-phenylmethanone (PubChem CID 43161664) has the molecular formula C14H11IO2 and a molecular weight of 338.14 g/mol. Its IUPAC name is (5-iodo-2-methoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(5-iodo-2-methoxyphenyl)-phenylmethanone
PubChem CID43161664
Molecular FormulaC14H11IO2
Molecular Weight338.14 g/mol
Exact Mass337.98
IUPAC Name(5-iodo-2-methoxyphenyl)-phenylmethanone
SMILESCOc1ccc(I)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H11IO2/c1-17-13-8-7-11(15)9-12(13)14(16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyGOZVPDPVFRNFNX-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

(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
(5-iodo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63490432
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 43339717
(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone
CID 43337349
(5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone
CID 63490601
(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 107959880
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone
CID 43339712
(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112
(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43339738
(4-iodo-2-phenoxyphenyl)-phenylmethanone
CID 67055516
(2-benzoyl-4,5-dimethoxyphenyl) benzoate
CID 141249986

Frequently Asked Questions

What is the IUPAC name of (5-iodo-2-methoxyphenyl)-phenylmethanone?
The IUPAC name of (5-iodo-2-methoxyphenyl)-phenylmethanone (CID 43161664) is (5-iodo-2-methoxyphenyl)-phenylmethanone.
What is the SMILES notation for (5-iodo-2-methoxyphenyl)-phenylmethanone?
The canonical SMILES for (5-iodo-2-methoxyphenyl)-phenylmethanone is COc1ccc(I)cc1C(=O)c1ccccc1.
What is the InChIKey of (5-iodo-2-methoxyphenyl)-phenylmethanone?
The InChIKey is GOZVPDPVFRNFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO2/c1-17-13-8-7-11(15)9-12(13)14(16)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of (5-iodo-2-methoxyphenyl)-phenylmethanone?
(5-iodo-2-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 (5-iodo-2-methoxyphenyl)-phenylmethanone is sourced from PubChem (CID 43161664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).