(4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone

C14H10ClNO2 — CID 89110090

IUPAC(4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(Cl)c(N=O)c1
InChIInChI=1S/C14H10ClNO2/c1-9-4-2-3-5-11(9)14(17)10-6-7-12(15)13(8-10)16-18/h2-8H,1H3
InChIKeyYFHRETNAMIKPSG-UHFFFAOYSA-N
MW259.69 g/mol
LogP4.28
Rot. Bonds3

About (4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone

(4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone (PubChem CID 89110090) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is (4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone
PubChem CID89110090
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name(4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(Cl)c(N=O)c1
InChIInChI=1S/C14H10ClNO2/c1-9-4-2-3-5-11(9)14(17)10-6-7-12(15)13(8-10)16-18/h2-8H,1H3
InChIKeyYFHRETNAMIKPSG-UHFFFAOYSA-N
XLogP4.28
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
4-(2-methylbenzoyl)phthalic acid
CID 22362607
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone
CID 116613082
(3-hydroxyphenyl)-(2-methylphenyl)methanone
CID 68613493
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(3-bromo-5-chlorophenyl)-(2-methylphenyl)methanone
CID 107944273
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone
CID 43339771
1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone
CID 63021429
(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591374
(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone
CID 11391183

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone?
The IUPAC name of (4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone (CID 89110090) is (4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone.
What is the SMILES notation for (4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone?
The canonical SMILES for (4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccc(Cl)c(N=O)c1.
What is the InChIKey of (4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone?
The InChIKey is YFHRETNAMIKPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c1-9-4-2-3-5-11(9)14(17)10-6-7-12(15)13(8-10)16-18/h2-8H,1H3.
What are the key properties of (4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone?
(4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone has a molecular weight of 259.69 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-nitrosophenyl)-(2-methylphenyl)methanone is sourced from PubChem (CID 89110090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).