(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone

C15H13ClO3 — CID 114962459

IUPAC(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(Cl)cc2OC)c1
InChIInChI=1S/C15H13ClO3/c1-18-12-5-3-4-10(8-12)15(17)13-7-6-11(16)9-14(13)19-2/h3-9H,1-2H3
InChIKeyJMYOWJXXPBIFNI-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.59
Rot. Bonds4

About (4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone

(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone (PubChem CID 114962459) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
PubChem CID114962459
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(Cl)cc2OC)c1
InChIInChI=1S/C15H13ClO3/c1-18-12-5-3-4-10(8-12)15(17)13-7-6-11(16)9-14(13)19-2/h3-9H,1-2H3
InChIKeyJMYOWJXXPBIFNI-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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Related Compounds

(3-chloro-2-methylphenyl)-(3-methoxyphenyl)methanone
CID 103693734
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970683
(2,4-dimethoxyphenyl)-(3-propylphenyl)methanone
CID 115812154
(2-acetyl-4-chlorophenyl) 3-methoxybenzoate
CID 13190809
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(4-chloro-2-methoxyphenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348850
4-chloro-2-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 55792202
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone
CID 115565794
(4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301430
4-chloro-2-methoxybenzamide
CID 19741766

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone (CID 114962459) is (4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ccc(Cl)cc2OC)c1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone?
The InChIKey is JMYOWJXXPBIFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-18-12-5-3-4-10(8-12)15(17)13-7-6-11(16)9-14(13)19-2/h3-9H,1-2H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone?
(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)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-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 114962459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).