4-methyl-1-phenylpent-4-ene-1,3-diol

C12H16O2 — CID 13461017

IUPAC4-methyl-1-phenylpent-4-ene-1,3-diol
SMILESC=C(C)C(O)CC(O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,11-14H,1,8H2,2H3
InChIKeyRSXHSIGGVKKEDY-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.05
Rot. Bonds4

About 4-methyl-1-phenylpent-4-ene-1,3-diol

4-methyl-1-phenylpent-4-ene-1,3-diol (PubChem CID 13461017) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-methyl-1-phenylpent-4-ene-1,3-diol.

Molecular Properties

Compound Name4-methyl-1-phenylpent-4-ene-1,3-diol
PubChem CID13461017
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-methyl-1-phenylpent-4-ene-1,3-diol
SMILESC=C(C)C(O)CC(O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,11-14H,1,8H2,2H3
InChIKeyRSXHSIGGVKKEDY-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
(1R,3S,4R)-3-methyl-1-phenylpentane-1,4-diol
CID 134976119
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
4,4-dimethyl-1-phenylpentane-1,3-diol
CID 14869149
(2R,4R)-4-phenylbutane-1,2,4-triol
CID 14940547
(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
CID 134966288
1-phenylpropan-1-ol;hydrate
CID 156782934
1,4,4-triphenylbutan-1-ol
CID 141326006
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
2-(3-methylbut-3-enylamino)-1-phenylethanol
CID 114472041
3-methylbut-3-en-2-ol;toluene
CID 91227774

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenylpent-4-ene-1,3-diol?
The IUPAC name of 4-methyl-1-phenylpent-4-ene-1,3-diol (CID 13461017) is 4-methyl-1-phenylpent-4-ene-1,3-diol.
What is the SMILES notation for 4-methyl-1-phenylpent-4-ene-1,3-diol?
The canonical SMILES for 4-methyl-1-phenylpent-4-ene-1,3-diol is C=C(C)C(O)CC(O)c1ccccc1.
What is the InChIKey of 4-methyl-1-phenylpent-4-ene-1,3-diol?
The InChIKey is RSXHSIGGVKKEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,11-14H,1,8H2,2H3.
What are the key properties of 4-methyl-1-phenylpent-4-ene-1,3-diol?
4-methyl-1-phenylpent-4-ene-1,3-diol has a molecular weight of 192.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenylpent-4-ene-1,3-diol is sourced from PubChem (CID 13461017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).