2-methylidene-4-phenylbut-3-yn-1-ol

C11H10O — CID 10534945

IUPAC2-methylidene-4-phenylbut-3-yn-1-ol
SMILESC=C(C#Cc1ccccc1)CO
InChIInChI=1S/C11H10O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,12H,1,9H2
InChIKeyDMLZHPAUAMPTSU-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.59
Rot. Bonds1

About 2-methylidene-4-phenylbut-3-yn-1-ol

2-methylidene-4-phenylbut-3-yn-1-ol (PubChem CID 10534945) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-methylidene-4-phenylbut-3-yn-1-ol.

Molecular Properties

Compound Name2-methylidene-4-phenylbut-3-yn-1-ol
PubChem CID10534945
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name2-methylidene-4-phenylbut-3-yn-1-ol
SMILESC=C(C#Cc1ccccc1)CO
InChIInChI=1S/C11H10O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,12H,1,9H2
InChIKeyDMLZHPAUAMPTSU-UHFFFAOYSA-N
XLogP1.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.59
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

4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol
CID 130130945
3-(methylsulfinylmethyl)but-3-en-1-ynylbenzene
CID 86044232
1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
CID 132594546
1-methyl-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
CID 132594542
[(Z)-3-butyl-4-(2-phenylethynyl)oct-3-en-1-ynyl]benzene
CID 10925864
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
(E)-3-(hydroxymethyl)-5-phenylpent-2-en-4-ynenitrile
CID 102372957
1,6-diphenylhex-3-en-1,5-diyne-3,4-dithiol
CID 72543052
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656
1,7-diphenylhepta-1,6-diyne-3,5-dione
CID 118147501
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-phenylbut-3-yn-1-ol?
The IUPAC name of 2-methylidene-4-phenylbut-3-yn-1-ol (CID 10534945) is 2-methylidene-4-phenylbut-3-yn-1-ol.
What is the SMILES notation for 2-methylidene-4-phenylbut-3-yn-1-ol?
The canonical SMILES for 2-methylidene-4-phenylbut-3-yn-1-ol is C=C(C#Cc1ccccc1)CO.
What is the InChIKey of 2-methylidene-4-phenylbut-3-yn-1-ol?
The InChIKey is DMLZHPAUAMPTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,12H,1,9H2.
What are the key properties of 2-methylidene-4-phenylbut-3-yn-1-ol?
2-methylidene-4-phenylbut-3-yn-1-ol has a molecular weight of 158.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-phenylbut-3-yn-1-ol is sourced from PubChem (CID 10534945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).