4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one

C12H16O2 — CID 169225939

IUPAC4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(C2(O)CCCCC2)=CC1
InChIInChI=1S/C12H16O2/c13-11-6-4-10(5-7-11)12(14)8-2-1-3-9-12/h4-6,14H,1-3,7-9H2
InChIKeyGNRZJYZLBBWHKW-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.14
Rot. Bonds1

About 4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one

4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one (PubChem CID 169225939) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one
PubChem CID169225939
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(C2(O)CCCCC2)=CC1
InChIInChI=1S/C12H16O2/c13-11-6-4-10(5-7-11)12(14)8-2-1-3-9-12/h4-6,14H,1-3,7-9H2
InChIKeyGNRZJYZLBBWHKW-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one (CID 169225939) is 4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one is O=C1C=CC(C2(O)CCCCC2)=CC1.
What is the InChIKey of 4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one?
The InChIKey is GNRZJYZLBBWHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-11-6-4-10(5-7-11)12(14)8-2-1-3-9-12/h4-6,14H,1-3,7-9H2.
What are the key properties of 4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one?
4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxycyclohexyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 169225939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).