(E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol

C12H12O — CID 10797282

IUPAC(E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol
SMILESC/C(C#Cc1ccccc1)=C\CO
InChIInChI=1S/C12H12O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9,13H,10H2,1H3/b11-9+
InChIKeyXBHMBLBHRSJQCB-PKNBQFBNSA-N
MW172.23 g/mol
LogP1.98
Rot. Bonds1

About (E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol

(E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol (PubChem CID 10797282) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is (E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol
PubChem CID10797282
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name(E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol
SMILESC/C(C#Cc1ccccc1)=C\CO
InChIInChI=1S/C12H12O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9,13H,10H2,1H3/b11-9+
InChIKeyXBHMBLBHRSJQCB-PKNBQFBNSA-N
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-(4-fluorophenyl)-3-methylpent-2-en-4-yn-1-ol
CID 22730943
2-methylbut-2-ene;2-phenylethynylbenzene
CID 143689109
[4-methyl-3-(2-phenylethynyl)pent-3-en-1-ynyl]benzene
CID 102191460
3-methylpenta-3,4-dien-1-ynylbenzene
CID 11182723
(NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine
CID 10920802
2-methylidene-4-phenylbut-3-yn-1-ol
CID 10534945
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
trimethyl-[(3Z,5Z)-6-methyl-8-phenylocta-3,5-dien-1,7-diynyl]silane
CID 10659305
(E)-6,8-diphenyloct-5-en-7-yn-2-one
CID 14925232
(2S)-2-ethoxy-3-[4-(3-methyl-5-phenylpent-2-en-4-ynoxy)phenyl]propanoic acid
CID 91039422
2-[3-chloro-4-(3-methyl-5-phenylpent-2-en-4-ynoxy)phenyl]acetic acid
CID 141066385
2-(2-phenylethynyl)propane-1,2,3-triol
CID 166174399

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol?
The IUPAC name of (E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol (CID 10797282) is (E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol.
What is the SMILES notation for (E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol?
The canonical SMILES for (E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol is C/C(C#Cc1ccccc1)=C\CO.
What is the InChIKey of (E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol?
The InChIKey is XBHMBLBHRSJQCB-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H12O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9,13H,10H2,1H3/b11-9+.
What are the key properties of (E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol?
(E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol has a molecular weight of 172.23 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol is sourced from PubChem (CID 10797282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).