3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol

C13H16O — CID 71415026

IUPAC3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol
SMILESC=C(C=Cc1ccc(C)cc1)C(C)O
InChIInChI=1S/C13H16O/c1-10-4-7-13(8-5-10)9-6-11(2)12(3)14/h4-9,12,14H,2H2,1,3H3
InChIKeyXXAKISWPTRAYIF-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.95
Rot. Bonds3

About 3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol

3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol (PubChem CID 71415026) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol.

Molecular Properties

Compound Name3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol
PubChem CID71415026
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol
SMILESC=C(C=Cc1ccc(C)cc1)C(C)O
InChIInChI=1S/C13H16O/c1-10-4-7-13(8-5-10)9-6-11(2)12(3)14/h4-9,12,14H,2H2,1,3H3
InChIKeyXXAKISWPTRAYIF-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-(4-methylphenyl)but-3-en-2-ol
CID 131852428
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide
CID 92898615
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene
CID 145376041
1-chloro-4-(4-methylphenyl)but-3-en-2-one
CID 77040033
1-[(1E)-3-benzylbuta-1,3-dienyl]-4-methylbenzene
CID 102460258
3-methylbut-3-en-2-ol;toluene
CID 91227774
1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene
CID 142164883
1-hydroxy-1-(4-methylphenyl)-4-phenylbut-3-en-2-one
CID 4661079
1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane
CID 142174237

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol?
The IUPAC name of 3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol (CID 71415026) is 3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol.
What is the SMILES notation for 3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol?
The canonical SMILES for 3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol is C=C(C=Cc1ccc(C)cc1)C(C)O.
What is the InChIKey of 3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol?
The InChIKey is XXAKISWPTRAYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-10-4-7-13(8-5-10)9-6-11(2)12(3)14/h4-9,12,14H,2H2,1,3H3.
What are the key properties of 3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol?
3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol has a molecular weight of 188.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-(4-methylphenyl)pent-4-en-2-ol is sourced from PubChem (CID 71415026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).