(2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol

C13H16O — CID 16751532

IUPAC(2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol
SMILESC=CC/C(=C(/C)CO)c1ccccc1
InChIInChI=1S/C13H16O/c1-3-7-13(11(2)10-14)12-8-5-4-6-9-12/h3-6,8-9,14H,1,7,10H2,2H3/b13-11+
InChIKeySAZZMELMMZXRHV-ACCUITESSA-N
MW188.27 g/mol
LogP3.03
Rot. Bonds4

About (2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol

(2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol (PubChem CID 16751532) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol.

Molecular Properties

Compound Name(2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol
PubChem CID16751532
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol
SMILESC=CC/C(=C(/C)CO)c1ccccc1
InChIInChI=1S/C13H16O/c1-3-7-13(11(2)10-14)12-8-5-4-6-9-12/h3-6,8-9,14H,1,7,10H2,2H3/b13-11+
InChIKeySAZZMELMMZXRHV-ACCUITESSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-3-phenylpent-2-en-1-ol
CID 134126530
(Z)-2-methyl-1-phenylprop-1-ene-1,3-diol
CID 131346173
2,3-diphenylbut-2-en-1-ol
CID 91085638
benzyl-[(1Z)-1,2-diphenylpenta-1,4-dienyl]-dimethylsilane
CID 101475811
1-phenylbut-3-ene-1-thione
CID 23072627
4-[5-(4-carboxyphenyl)octa-1,4,7-trien-4-yl]benzoic acid
CID 67613147
4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol
CID 71416847
[(Z)-4-methylhex-3-en-3-yl]benzene
CID 142361639
azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride
CID 174764098
magnesium;1-phenylbut-3-enylideneazanide;chloride
CID 10013141
[(1Z)-2-methylpenta-1,4-dienyl]benzene
CID 14247244
(5Z)-4,6-diphenylhepta-1,5-dien-4-ol
CID 101172354

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol?
The IUPAC name of (2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol (CID 16751532) is (2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol.
What is the SMILES notation for (2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol?
The canonical SMILES for (2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol is C=CC/C(=C(/C)CO)c1ccccc1.
What is the InChIKey of (2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol?
The InChIKey is SAZZMELMMZXRHV-ACCUITESSA-N. The full InChI is InChI=1S/C13H16O/c1-3-7-13(11(2)10-14)12-8-5-4-6-9-12/h3-6,8-9,14H,1,7,10H2,2H3/b13-11+.
What are the key properties of (2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol?
(2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol has a molecular weight of 188.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol is sourced from PubChem (CID 16751532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).