3,4-diphenylcycloheptan-1-one;ethane

C23H32O — CID 123156806

IUPAC3,4-diphenylcycloheptan-1-one;ethane
SMILESCC.CC.O=C1CCCC(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C19H20O.2C2H6/c20-17-12-7-13-18(15-8-3-1-4-9-15)19(14-17)16-10-5-2-6-11-16;2*1-2/h1-6,8-11,18-19H,7,12-14H2;2*1-2H3
InChIKeyABRTYXRKZNOZJE-UHFFFAOYSA-N
MW324.51 g/mol
LogP6.75
Rot. Bonds2

About 3,4-diphenylcycloheptan-1-one;ethane

3,4-diphenylcycloheptan-1-one;ethane (PubChem CID 123156806) has the molecular formula C23H32O and a molecular weight of 324.51 g/mol. Its IUPAC name is 3,4-diphenylcycloheptan-1-one;ethane.

Molecular Properties

Compound Name3,4-diphenylcycloheptan-1-one;ethane
PubChem CID123156806
Molecular FormulaC23H32O
Molecular Weight324.51 g/mol
Exact Mass324.25
IUPAC Name3,4-diphenylcycloheptan-1-one;ethane
SMILESCC.CC.O=C1CCCC(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C19H20O.2C2H6/c20-17-12-7-13-18(15-8-3-1-4-9-15)19(14-17)16-10-5-2-6-11-16;2*1-2/h1-6,8-11,18-19H,7,12-14H2;2*1-2H3
InChIKeyABRTYXRKZNOZJE-UHFFFAOYSA-N
XLogP6.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-phenylcyclohexan-1-one
CID 11041212
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one
CID 100973232
5-oxo-2-phenylcyclohexane-1-carbaldehyde
CID 86204280
4-benzoyl-3-phenylcyclohexan-1-one
CID 14273389
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
(6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene
CID 102421677
(6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one
CID 11841590
(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126
(3R,4R)-3,4-diphenylazepane;ethane
CID 123989610
cis-(4S,5R)-4-methyl-5-phenylcyclohexane-1,3-dione
CID 59919081
6-methyl-4-phenylcyclodec-5-en-1-one
CID 91670765

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenylcycloheptan-1-one;ethane?
The IUPAC name of 3,4-diphenylcycloheptan-1-one;ethane (CID 123156806) is 3,4-diphenylcycloheptan-1-one;ethane.
What is the SMILES notation for 3,4-diphenylcycloheptan-1-one;ethane?
The canonical SMILES for 3,4-diphenylcycloheptan-1-one;ethane is CC.CC.O=C1CCCC(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 3,4-diphenylcycloheptan-1-one;ethane?
The InChIKey is ABRTYXRKZNOZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O.2C2H6/c20-17-12-7-13-18(15-8-3-1-4-9-15)19(14-17)16-10-5-2-6-11-16;2*1-2/h1-6,8-11,18-19H,7,12-14H2;2*1-2H3.
What are the key properties of 3,4-diphenylcycloheptan-1-one;ethane?
3,4-diphenylcycloheptan-1-one;ethane has a molecular weight of 324.51 g/mol, XLogP of 6.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenylcycloheptan-1-one;ethane is sourced from PubChem (CID 123156806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).