(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone

C16H15IO3 — CID 43339717

IUPAC(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(I)ccc2OC)ccc1C
InChIInChI=1S/C16H15IO3/c1-10-4-5-11(8-15(10)20-3)16(18)13-9-12(17)6-7-14(13)19-2/h4-9H,1-3H3
InChIKeyQNMOPGBGQRQHNZ-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.85
Rot. Bonds4

About (5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone

(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone (PubChem CID 43339717) has the molecular formula C16H15IO3 and a molecular weight of 382.20 g/mol. Its IUPAC name is (5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
PubChem CID43339717
Molecular FormulaC16H15IO3
Molecular Weight382.20 g/mol
Exact Mass382.01
IUPAC Name(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(I)ccc2OC)ccc1C
InChIInChI=1S/C16H15IO3/c1-10-4-5-11(8-15(10)20-3)16(18)13-9-12(17)6-7-14(13)19-2/h4-9H,1-3H3
InChIKeyQNMOPGBGQRQHNZ-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-phenylmethanone
CID 43161664
2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone
CID 43339712
(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43339738
(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 65306724
(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone
CID 43337349
(4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 65237438
(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337370
2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone
CID 63490949
(5-iodo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63490432
(5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone
CID 63490601
(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 107959880

Frequently Asked Questions

What is the IUPAC name of (5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of (5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone (CID 43339717) is (5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for (5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for (5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)c2cc(I)ccc2OC)ccc1C.
What is the InChIKey of (5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is QNMOPGBGQRQHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO3/c1-10-4-5-11(8-15(10)20-3)16(18)13-9-12(17)6-7-14(13)19-2/h4-9H,1-3H3.
What are the key properties of (5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone?
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 382.20 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 43339717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).