cycloheptyl-(3-methoxyphenyl)methanone

C15H20O2 — CID 65399617

IUPACcycloheptyl-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CCCCCC2)c1
InChIInChI=1S/C15H20O2/c1-17-14-10-6-9-13(11-14)15(16)12-7-4-2-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3
InChIKeyKBNMENYXFFXAPE-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.85
Rot. Bonds3

About cycloheptyl-(3-methoxyphenyl)methanone

cycloheptyl-(3-methoxyphenyl)methanone (PubChem CID 65399617) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is cycloheptyl-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Namecycloheptyl-(3-methoxyphenyl)methanone
PubChem CID65399617
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namecycloheptyl-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CCCCCC2)c1
InChIInChI=1S/C15H20O2/c1-17-14-10-6-9-13(11-14)15(16)12-7-4-2-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3
InChIKeyKBNMENYXFFXAPE-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
[3-(cyclohexanecarbonyl)phenyl] acetate
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CID 24722452
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone
CID 175706022
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965
(E)-3-cyclohexyl-3-(3-methoxyphenyl)prop-2-enoic acid
CID 82090151
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884
cyclohexyl-(3-fluorophenyl)methanone
CID 24724195
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
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Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(3-methoxyphenyl)methanone?
The IUPAC name of cycloheptyl-(3-methoxyphenyl)methanone (CID 65399617) is cycloheptyl-(3-methoxyphenyl)methanone.
What is the SMILES notation for cycloheptyl-(3-methoxyphenyl)methanone?
The canonical SMILES for cycloheptyl-(3-methoxyphenyl)methanone is COc1cccc(C(=O)C2CCCCCC2)c1.
What is the InChIKey of cycloheptyl-(3-methoxyphenyl)methanone?
The InChIKey is KBNMENYXFFXAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-17-14-10-6-9-13(11-14)15(16)12-7-4-2-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3.
What are the key properties of cycloheptyl-(3-methoxyphenyl)methanone?
cycloheptyl-(3-methoxyphenyl)methanone has a molecular weight of 232.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(3-methoxyphenyl)methanone is sourced from PubChem (CID 65399617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).