(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone

C18H12Cl2O2 — CID 146007325

IUPAC(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3ccc(Cl)c(Cl)c3)ccc2c1
InChIInChI=1S/C18H12Cl2O2/c1-22-15-6-4-11-8-13(3-2-12(11)9-15)18(21)14-5-7-16(19)17(20)10-14/h2-10H,1H3
InChIKeyGLQRKYKKRWFQBU-UHFFFAOYSA-N
MW331.20 g/mol
LogP5.39
Rot. Bonds3

About (3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone

(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone (PubChem CID 146007325) has the molecular formula C18H12Cl2O2 and a molecular weight of 331.20 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
PubChem CID146007325
Molecular FormulaC18H12Cl2O2
Molecular Weight331.20 g/mol
Exact Mass330.02
IUPAC Name(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3ccc(Cl)c(Cl)c3)ccc2c1
InChIInChI=1S/C18H12Cl2O2/c1-22-15-6-4-11-8-13(3-2-12(11)9-15)18(21)14-5-7-16(19)17(20)10-14/h2-10H,1H3
InChIKeyGLQRKYKKRWFQBU-UHFFFAOYSA-N
XLogP5.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.20
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797612
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338
[4-(3,4-dichlorobenzoyl)phenyl] acetate
CID 24723041
(3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491316
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride
CID 58107445
7-methoxy-3-(6-methoxynaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
CID 54292722
3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide
CID 122371137
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
CID 141138578

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone (CID 146007325) is (3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone is COc1ccc2cc(C(=O)c3ccc(Cl)c(Cl)c3)ccc2c1.
What is the InChIKey of (3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone?
The InChIKey is GLQRKYKKRWFQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2O2/c1-22-15-6-4-11-8-13(3-2-12(11)9-15)18(21)14-5-7-16(19)17(20)10-14/h2-10H,1H3.
What are the key properties of (3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone?
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone has a molecular weight of 331.20 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 146007325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).