(2-chloro-4-methoxyphenyl)-cyclooctylmethanone

C16H21ClO2 — CID 65018637

IUPAC(2-chloro-4-methoxyphenyl)-cyclooctylmethanone
SMILESCOc1ccc(C(=O)C2CCCCCCC2)c(Cl)c1
InChIInChI=1S/C16H21ClO2/c1-19-13-9-10-14(15(17)11-13)16(18)12-7-5-3-2-4-6-8-12/h9-12H,2-8H2,1H3
InChIKeyRHGXHZJWLDGGFU-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.89
Rot. Bonds3

About (2-chloro-4-methoxyphenyl)-cyclooctylmethanone

(2-chloro-4-methoxyphenyl)-cyclooctylmethanone (PubChem CID 65018637) has the molecular formula C16H21ClO2 and a molecular weight of 280.80 g/mol. Its IUPAC name is (2-chloro-4-methoxyphenyl)-cyclooctylmethanone.

Molecular Properties

Compound Name(2-chloro-4-methoxyphenyl)-cyclooctylmethanone
PubChem CID65018637
Molecular FormulaC16H21ClO2
Molecular Weight280.80 g/mol
Exact Mass280.12
IUPAC Name(2-chloro-4-methoxyphenyl)-cyclooctylmethanone
SMILESCOc1ccc(C(=O)C2CCCCCCC2)c(Cl)c1
InChIInChI=1S/C16H21ClO2/c1-19-13-9-10-14(15(17)11-13)16(18)12-7-5-3-2-4-6-8-12/h9-12H,2-8H2,1H3
InChIKeyRHGXHZJWLDGGFU-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-ethoxyphenyl)-cyclopropylmethanone
CID 82267627
cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
CID 68924260
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
cyclobutyl-(2,4-dichlorophenyl)methanone
CID 24724148
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
(1-aminocyclopropyl)-(2-chloro-4-methoxyphenyl)methanone
CID 116924320
[2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone
CID 82551740
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
CID 65391983
(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
CID 81304901
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxyphenyl)-cyclooctylmethanone?
The IUPAC name of (2-chloro-4-methoxyphenyl)-cyclooctylmethanone (CID 65018637) is (2-chloro-4-methoxyphenyl)-cyclooctylmethanone.
What is the SMILES notation for (2-chloro-4-methoxyphenyl)-cyclooctylmethanone?
The canonical SMILES for (2-chloro-4-methoxyphenyl)-cyclooctylmethanone is COc1ccc(C(=O)C2CCCCCCC2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methoxyphenyl)-cyclooctylmethanone?
The InChIKey is RHGXHZJWLDGGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO2/c1-19-13-9-10-14(15(17)11-13)16(18)12-7-5-3-2-4-6-8-12/h9-12H,2-8H2,1H3.
What are the key properties of (2-chloro-4-methoxyphenyl)-cyclooctylmethanone?
(2-chloro-4-methoxyphenyl)-cyclooctylmethanone has a molecular weight of 280.80 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxyphenyl)-cyclooctylmethanone is sourced from PubChem (CID 65018637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).