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

C14H10ClNO4 — CID 12585195

IUPAC(2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1
InChIInChI=1S/C14H10ClNO4/c1-20-11-6-7-12(13(15)8-11)14(17)9-2-4-10(5-3-9)16(18)19/h2-8H,1H3
InChIKeyLOFLQXWONOBMDX-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.49
Rot. Bonds4

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

(2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone (PubChem CID 12585195) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is (2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone
PubChem CID12585195
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name(2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1
InChIInChI=1S/C14H10ClNO4/c1-20-11-6-7-12(13(15)8-11)14(17)9-2-4-10(5-3-9)16(18)19/h2-8H,1H3
InChIKeyLOFLQXWONOBMDX-UHFFFAOYSA-N
XLogP3.49
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone
CID 14241911
(2-chloro-4-nitrophenyl)-(4-pentoxyphenyl)methanone
CID 134105179
(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 55196391
2-chloro-4-(4-nitrophenoxy)benzoic acid
CID 62944604
(2-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63210027
2-(2-chloro-5-methoxyphenyl)-4-nitrobenzoic acid
CID 53227505
methyl 3-(2-chloro-4-nitrobenzoyl)-4-methoxybenzoate
CID 67314034
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone
CID 43561635
methyl 4-[[(E)-2-[(2-chloro-4-methoxybenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate
CID 46497036
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
(2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone
CID 68537792

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone?
The IUPAC name of (2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone (CID 12585195) is (2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone.
What is the SMILES notation for (2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone?
The canonical SMILES for (2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone is COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone?
The InChIKey is LOFLQXWONOBMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c1-20-11-6-7-12(13(15)8-11)14(17)9-2-4-10(5-3-9)16(18)19/h2-8H,1H3.
What are the key properties of (2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone?
(2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone has a molecular weight of 291.69 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone is sourced from PubChem (CID 12585195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).