4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one

C15H20O2 — CID 11773029

IUPAC4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one
SMILESCO[C@@H](c1ccccc1)C1CCCC(=O)CC1
InChIInChI=1S/C15H20O2/c1-17-15(12-6-3-2-4-7-12)13-8-5-9-14(16)11-10-13/h2-4,6-7,13,15H,5,8-11H2,1H3/t13?,15-/m0/s1
InChIKeyKMOCEPGWPZIXGZ-WUJWULDRSA-N
MW232.32 g/mol
LogP3.52
Rot. Bonds3

About 4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one

4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one (PubChem CID 11773029) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one.

Molecular Properties

Compound Name4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one
PubChem CID11773029
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one
SMILESCO[C@@H](c1ccccc1)C1CCCC(=O)CC1
InChIInChI=1S/C15H20O2/c1-17-15(12-6-3-2-4-7-12)13-8-5-9-14(16)11-10-13/h2-4,6-7,13,15H,5,8-11H2,1H3/t13?,15-/m0/s1
InChIKeyKMOCEPGWPZIXGZ-WUJWULDRSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one?
The IUPAC name of 4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one (CID 11773029) is 4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one.
What is the SMILES notation for 4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one?
The canonical SMILES for 4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one is CO[C@@H](c1ccccc1)C1CCCC(=O)CC1.
What is the InChIKey of 4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one?
The InChIKey is KMOCEPGWPZIXGZ-WUJWULDRSA-N. The full InChI is InChI=1S/C15H20O2/c1-17-15(12-6-3-2-4-7-12)13-8-5-9-14(16)11-10-13/h2-4,6-7,13,15H,5,8-11H2,1H3/t13?,15-/m0/s1.
What are the key properties of 4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one?
4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one is sourced from PubChem (CID 11773029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).