2-cycloheptyl-4-phenylcyclohexan-1-one

C19H26O — CID 82928864

IUPAC2-cycloheptyl-4-phenylcyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)CC1C1CCCCCC1
InChIInChI=1S/C19H26O/c20-19-13-12-17(15-8-6-3-7-9-15)14-18(19)16-10-4-1-2-5-11-16/h3,6-9,16-18H,1-2,4-5,10-14H2
InChIKeyHNGZDFXWEHNONF-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.11
Rot. Bonds2

About 2-cycloheptyl-4-phenylcyclohexan-1-one

2-cycloheptyl-4-phenylcyclohexan-1-one (PubChem CID 82928864) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-cycloheptyl-4-phenylcyclohexan-1-one.

Molecular Properties

Compound Name2-cycloheptyl-4-phenylcyclohexan-1-one
PubChem CID82928864
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name2-cycloheptyl-4-phenylcyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)CC1C1CCCCCC1
InChIInChI=1S/C19H26O/c20-19-13-12-17(15-8-6-3-7-9-15)14-18(19)16-10-4-1-2-5-11-16/h3,6-9,16-18H,1-2,4-5,10-14H2
InChIKeyHNGZDFXWEHNONF-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4-phenylcyclohexan-1-one?
The IUPAC name of 2-cycloheptyl-4-phenylcyclohexan-1-one (CID 82928864) is 2-cycloheptyl-4-phenylcyclohexan-1-one.
What is the SMILES notation for 2-cycloheptyl-4-phenylcyclohexan-1-one?
The canonical SMILES for 2-cycloheptyl-4-phenylcyclohexan-1-one is O=C1CCC(c2ccccc2)CC1C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-4-phenylcyclohexan-1-one?
The InChIKey is HNGZDFXWEHNONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c20-19-13-12-17(15-8-6-3-7-9-15)14-18(19)16-10-4-1-2-5-11-16/h3,6-9,16-18H,1-2,4-5,10-14H2.
What are the key properties of 2-cycloheptyl-4-phenylcyclohexan-1-one?
2-cycloheptyl-4-phenylcyclohexan-1-one has a molecular weight of 270.42 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4-phenylcyclohexan-1-one is sourced from PubChem (CID 82928864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).