(4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone

C15H13ClO3 — CID 798751

IUPAC(4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C15H13ClO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3
InChIKeyMLLIIHAKTPXMFF-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.59
Rot. Bonds4

About (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone

(4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 798751) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
PubChem CID798751
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name(4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C15H13ClO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3
InChIKeyMLLIIHAKTPXMFF-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone (CID 798751) is (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is MLLIIHAKTPXMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3.
What are the key properties of (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone?
(4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone has a molecular weight of 276.72 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 798751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).