(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone

C14H10Cl2O2 — CID 2758123

IUPAC(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H10Cl2O2/c1-18-11-5-2-9(3-6-11)14(17)10-4-7-12(15)13(16)8-10/h2-8H,1H3
InChIKeyJFXBDLZCKLTJRY-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.23
Rot. Bonds3

About (3,4-dichlorophenyl)-(4-methoxyphenyl)methanone

(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone (PubChem CID 2758123) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
PubChem CID2758123
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H10Cl2O2/c1-18-11-5-2-9(3-6-11)14(17)10-4-7-12(15)13(16)8-10/h2-8H,1H3
InChIKeyJFXBDLZCKLTJRY-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
[4-(3,4-dichlorobenzoyl)phenyl] acetate
CID 24723041
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride
CID 58107445
3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide
CID 122371137
(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797612
(5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone
CID 58452562
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(4-methoxyphenyl)methanone (CID 2758123) is (3,4-dichlorophenyl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (3,4-dichlorophenyl)-(4-methoxyphenyl)methanone?
The InChIKey is JFXBDLZCKLTJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c1-18-11-5-2-9(3-6-11)14(17)10-4-7-12(15)13(16)8-10/h2-8H,1H3.
What are the key properties of (3,4-dichlorophenyl)-(4-methoxyphenyl)methanone?
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone has a molecular weight of 281.14 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 2758123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).