phenyl(spiro[2.4]heptan-2-yl)methanone

C14H16O — CID 146164846

IUPACphenyl(spiro[2.4]heptan-2-yl)methanone
SMILESO=C(c1ccccc1)C1CC12CCCC2
InChIInChI=1S/C14H16O/c15-13(11-6-2-1-3-7-11)12-10-14(12)8-4-5-9-14/h1-3,6-7,12H,4-5,8-10H2
InChIKeyXHFPNUZPAXYIDV-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.45
Rot. Bonds2

About phenyl(spiro[2.4]heptan-2-yl)methanone

phenyl(spiro[2.4]heptan-2-yl)methanone (PubChem CID 146164846) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is phenyl(spiro[2.4]heptan-2-yl)methanone.

Molecular Properties

Compound Namephenyl(spiro[2.4]heptan-2-yl)methanone
PubChem CID146164846
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Namephenyl(spiro[2.4]heptan-2-yl)methanone
SMILESO=C(c1ccccc1)C1CC12CCCC2
InChIInChI=1S/C14H16O/c15-13(11-6-2-1-3-7-11)12-10-14(12)8-4-5-9-14/h1-3,6-7,12H,4-5,8-10H2
InChIKeyXHFPNUZPAXYIDV-UHFFFAOYSA-N
XLogP3.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze phenyl(spiro[2.4]heptan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl(spiro[3.5]nonan-9-yl)methanone
CID 101482712
(4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone
CID 102171866
6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone
CID 116573122
2-benzoyl-1-methylcyclohexane-1-carboxylic acid
CID 13054541
[(2S,4R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-yl]-phenylmethanone
CID 11242806
(2R)-spiro[2.5]octane-2-carboxylic acid
CID 10419388
[(1S,5S,6R)-5-methyl-6-bicyclo[3.2.1]octanyl]-phenylmethanone
CID 101482715
2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
CID 119197362
[(1S,2S,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-2-yl]-phenylmethanone
CID 639381
oxiran-2-yl(phenyl)methanone
CID 11788375
(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide
CID 899685
(3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone
CID 2750591

Frequently Asked Questions

What is the IUPAC name of phenyl(spiro[2.4]heptan-2-yl)methanone?
The IUPAC name of phenyl(spiro[2.4]heptan-2-yl)methanone (CID 146164846) is phenyl(spiro[2.4]heptan-2-yl)methanone.
What is the SMILES notation for phenyl(spiro[2.4]heptan-2-yl)methanone?
The canonical SMILES for phenyl(spiro[2.4]heptan-2-yl)methanone is O=C(c1ccccc1)C1CC12CCCC2.
What is the InChIKey of phenyl(spiro[2.4]heptan-2-yl)methanone?
The InChIKey is XHFPNUZPAXYIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c15-13(11-6-2-1-3-7-11)12-10-14(12)8-4-5-9-14/h1-3,6-7,12H,4-5,8-10H2.
What are the key properties of phenyl(spiro[2.4]heptan-2-yl)methanone?
phenyl(spiro[2.4]heptan-2-yl)methanone has a molecular weight of 200.28 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(spiro[2.4]heptan-2-yl)methanone is sourced from PubChem (CID 146164846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).