3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one

C12H14O2 — CID 146178995

IUPAC3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESO=c1ccccc(C2CCCC2)c1O
InChIInChI=1S/C12H14O2/c13-11-8-4-3-7-10(12(11)14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,13,14)
InChIKeyOIOAXJOHERIPET-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.41
Rot. Bonds1

About 3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one

3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one (PubChem CID 146178995) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one
PubChem CID146178995
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESO=c1ccccc(C2CCCC2)c1O
InChIInChI=1S/C12H14O2/c13-11-8-4-3-7-10(12(11)14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,13,14)
InChIKeyOIOAXJOHERIPET-UHFFFAOYSA-N
XLogP2.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 157394257
2,6-di(cyclobutyl)phenol
CID 57426118
2-cyclododecylphenol
CID 22381643
2-cyclobutyl-7-methylcyclohepta-2,4,6-trien-1-one
CID 157060822
2-cyclohexyl-6-nitrophenol;2-cyclohexylphenol
CID 159298843
2-cyclohexyl-6-propan-2-ylphenol
CID 3058302
2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol
CID 66514859
1-cyclopentyl-2-fluorobenzene
CID 53415938
2-cyclohexylbenzenesulfonic acid
CID 14574322
2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione
CID 142748984
3-(3,4-dihydro-1H-isochromen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 13275309
2-(2-cyclopentylphenyl)acetamide
CID 68862878

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
The IUPAC name of 3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one (CID 146178995) is 3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one is O=c1ccccc(C2CCCC2)c1O.
What is the InChIKey of 3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
The InChIKey is OIOAXJOHERIPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-8-4-3-7-10(12(11)14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,13,14).
What are the key properties of 3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 146178995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).