(5-chloro-2-methoxyphenyl)-cycloheptylmethanone

C15H19ClO2 — CID 65399771

IUPAC(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
SMILESCOc1ccc(Cl)cc1C(=O)C1CCCCCC1
InChIInChI=1S/C15H19ClO2/c1-18-14-9-8-12(16)10-13(14)15(17)11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3
InChIKeyQSNORFAGFHEXTA-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.50
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-cycloheptylmethanone

(5-chloro-2-methoxyphenyl)-cycloheptylmethanone (PubChem CID 65399771) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-cycloheptylmethanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
PubChem CID65399771
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
SMILESCOc1ccc(Cl)cc1C(=O)C1CCCCCC1
InChIInChI=1S/C15H19ClO2/c1-18-14-9-8-12(16)10-13(14)15(17)11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3
InChIKeyQSNORFAGFHEXTA-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 93188912
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CID 103551811
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
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[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate
CID 19296203
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
CID 68924260
cyclobutyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161686
(5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176707
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone
CID 116750880
(2-amino-5-chlorophenyl)-cyclopentylmethanone
CID 57148453

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-cycloheptylmethanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-cycloheptylmethanone (CID 65399771) is (5-chloro-2-methoxyphenyl)-cycloheptylmethanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-cycloheptylmethanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-cycloheptylmethanone is COc1ccc(Cl)cc1C(=O)C1CCCCCC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-cycloheptylmethanone?
The InChIKey is QSNORFAGFHEXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-18-14-9-8-12(16)10-13(14)15(17)11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-cycloheptylmethanone?
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone has a molecular weight of 266.77 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-cycloheptylmethanone is sourced from PubChem (CID 65399771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).