(2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one

C13H14O2 — CID 6199853

IUPAC(2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one
SMILESO=C1CCCC/C1=C(/O)c1ccccc1
InChIInChI=1S/C13H14O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2/b13-11-
InChIKeyFCRVCPPAMTVWBD-QBFSEMIESA-N
MW202.25 g/mol
LogP3.10
Rot. Bonds1

About (2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one

(2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one (PubChem CID 6199853) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one
PubChem CID6199853
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one
SMILESO=C1CCCC/C1=C(/O)c1ccccc1
InChIInChI=1S/C13H14O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2/b13-11-
InChIKeyFCRVCPPAMTVWBD-QBFSEMIESA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(1-phenylethylidene)cyclododecan-1-one
CID 134874855
(3Z)-3-[amino(phenyl)methylidene]-1-methylazepan-2-one
CID 101022004
2-[hydroxy-(2-hydroxycyclohexen-1-yl)methylidene]cyclohexan-1-one
CID 150978416
2-(1-phenylnonylidene)cyclopentan-1-one
CID 71428415
(2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 15732203
(2E)-2-(1-hydroxy-3-phenylsulfanylpropylidene)cyclohexan-1-one
CID 177456999
(2E)-2-phenacylidenecycloheptan-1-one
CID 67785794
(2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetic acid
CID 91692308
1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione
CID 14228168
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(2E)-2-phenacylidenecyclopentan-1-one
CID 67785446
2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one
CID 71435466

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one?
The IUPAC name of (2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one (CID 6199853) is (2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for (2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for (2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one is O=C1CCCC/C1=C(/O)c1ccccc1.
What is the InChIKey of (2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one?
The InChIKey is FCRVCPPAMTVWBD-QBFSEMIESA-N. The full InChI is InChI=1S/C13H14O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2/b13-11-.
What are the key properties of (2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one?
(2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one has a molecular weight of 202.25 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 6199853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).