5-methylidene-6-phenyloxan-2-ol

C12H14O2 — CID 10535678

IUPAC5-methylidene-6-phenyloxan-2-ol
SMILESC=C1CCC(O)OC1c1ccccc1
InChIInChI=1S/C12H14O2/c1-9-7-8-11(13)14-12(9)10-5-3-2-4-6-10/h2-6,11-13H,1,7-8H2
InChIKeyPCWFDSGCQYKVEU-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.41
Rot. Bonds1

About 5-methylidene-6-phenyloxan-2-ol

5-methylidene-6-phenyloxan-2-ol (PubChem CID 10535678) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-methylidene-6-phenyloxan-2-ol.

Molecular Properties

Compound Name5-methylidene-6-phenyloxan-2-ol
PubChem CID10535678
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5-methylidene-6-phenyloxan-2-ol
SMILESC=C1CCC(O)OC1c1ccccc1
InChIInChI=1S/C12H14O2/c1-9-7-8-11(13)14-12(9)10-5-3-2-4-6-10/h2-6,11-13H,1,7-8H2
InChIKeyPCWFDSGCQYKVEU-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol
CID 10942959
[(1S)-2-methylidenecyclobutyl]benzene
CID 163933386
5-methoxy-6-phenyloxan-2-ol
CID 153365018
4-methyl-3-methylidene-2-phenyloxolane
CID 102507227
2-phenyl-1,3-dioxolan-4-ol
CID 23288237
2-phenylpiperidin-3-ol
CID 18782643
(2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol
CID 130920611
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene
CID 140590307

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-6-phenyloxan-2-ol?
The IUPAC name of 5-methylidene-6-phenyloxan-2-ol (CID 10535678) is 5-methylidene-6-phenyloxan-2-ol.
What is the SMILES notation for 5-methylidene-6-phenyloxan-2-ol?
The canonical SMILES for 5-methylidene-6-phenyloxan-2-ol is C=C1CCC(O)OC1c1ccccc1.
What is the InChIKey of 5-methylidene-6-phenyloxan-2-ol?
The InChIKey is PCWFDSGCQYKVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-7-8-11(13)14-12(9)10-5-3-2-4-6-10/h2-6,11-13H,1,7-8H2.
What are the key properties of 5-methylidene-6-phenyloxan-2-ol?
5-methylidene-6-phenyloxan-2-ol 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 5-methylidene-6-phenyloxan-2-ol is sourced from PubChem (CID 10535678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).