(3,5-dimethoxyphenyl)-(4-iodophenyl)methanone

C15H13IO3 — CID 24723154

IUPAC(3,5-dimethoxyphenyl)-(4-iodophenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C15H13IO3/c1-18-13-7-11(8-14(9-13)19-2)15(17)10-3-5-12(16)6-4-10/h3-9H,1-2H3
InChIKeyVPIWYDYRVNXWOL-UHFFFAOYSA-N
MW368.17 g/mol
LogP3.54
Rot. Bonds4

About (3,5-dimethoxyphenyl)-(4-iodophenyl)methanone

(3,5-dimethoxyphenyl)-(4-iodophenyl)methanone (PubChem CID 24723154) has the molecular formula C15H13IO3 and a molecular weight of 368.17 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(4-iodophenyl)methanone
PubChem CID24723154
Molecular FormulaC15H13IO3
Molecular Weight368.17 g/mol
Exact Mass367.99
IUPAC Name(3,5-dimethoxyphenyl)-(4-iodophenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C15H13IO3/c1-18-13-7-11(8-14(9-13)19-2)15(17)10-3-5-12(16)6-4-10/h3-9H,1-2H3
InChIKeyVPIWYDYRVNXWOL-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 53.54
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

bis[4-(4-iodobenzoyl)phenyl]methanone
CID 22494471
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
3-[2-(4-iodophenyl)-2-oxoethoxy]-5-methoxybenzonitrile
CID 103568020
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
(3-bromo-5-methoxyphenyl)-phenylmethanone
CID 169228126
(2-hydroxy-5-methoxyphenyl)-(4-iodophenyl)methanone;4-iodobenzoyl chloride
CID 87794308
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
CID 10950821
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
3,5-dimethoxybenzoyl fluoride
CID 102051744
1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(4-iodophenyl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(4-iodophenyl)methanone (CID 24723154) is (3,5-dimethoxyphenyl)-(4-iodophenyl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(4-iodophenyl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(4-iodophenyl)methanone is COc1cc(OC)cc(C(=O)c2ccc(I)cc2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(4-iodophenyl)methanone?
The InChIKey is VPIWYDYRVNXWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO3/c1-18-13-7-11(8-14(9-13)19-2)15(17)10-3-5-12(16)6-4-10/h3-9H,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-(4-iodophenyl)methanone?
(3,5-dimethoxyphenyl)-(4-iodophenyl)methanone has a molecular weight of 368.17 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(4-iodophenyl)methanone is sourced from PubChem (CID 24723154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).