(3-chloro-2-methylphenyl)-cycloheptylmethanone

C15H19ClO — CID 107101795

IUPAC(3-chloro-2-methylphenyl)-cycloheptylmethanone
SMILESCc1c(Cl)cccc1C(=O)C1CCCCCC1
InChIInChI=1S/C15H19ClO/c1-11-13(9-6-10-14(11)16)15(17)12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8H2,1H3
InChIKeyCHOYRROVQFWWEY-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.80
Rot. Bonds2

About (3-chloro-2-methylphenyl)-cycloheptylmethanone

(3-chloro-2-methylphenyl)-cycloheptylmethanone (PubChem CID 107101795) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-cycloheptylmethanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-cycloheptylmethanone
PubChem CID107101795
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name(3-chloro-2-methylphenyl)-cycloheptylmethanone
SMILESCc1c(Cl)cccc1C(=O)C1CCCCCC1
InChIInChI=1S/C15H19ClO/c1-11-13(9-6-10-14(11)16)15(17)12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8H2,1H3
InChIKeyCHOYRROVQFWWEY-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-methylphenyl)-cyclohexylmethanone
CID 114962200
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide
CID 107098127
1-(3-chloro-2-methylbenzoyl)piperidine-2-carbothioamide
CID 107096844
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
3-chloro-N-cyclohexyl-2-methylbenzamide;pyrrolidine
CID 143582754
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151
cycloheptyl-(2-iodophenyl)methanone
CID 115794862
cycloheptyl-(2-methylsulfanylphenyl)methanone
CID 115794815

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-cycloheptylmethanone?
The IUPAC name of (3-chloro-2-methylphenyl)-cycloheptylmethanone (CID 107101795) is (3-chloro-2-methylphenyl)-cycloheptylmethanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-cycloheptylmethanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-cycloheptylmethanone is Cc1c(Cl)cccc1C(=O)C1CCCCCC1.
What is the InChIKey of (3-chloro-2-methylphenyl)-cycloheptylmethanone?
The InChIKey is CHOYRROVQFWWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-11-13(9-6-10-14(11)16)15(17)12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8H2,1H3.
What are the key properties of (3-chloro-2-methylphenyl)-cycloheptylmethanone?
(3-chloro-2-methylphenyl)-cycloheptylmethanone has a molecular weight of 250.77 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-cycloheptylmethanone is sourced from PubChem (CID 107101795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).