3-(2-methylphenyl)prop-2-yn-1-ol

C10H10O — CID 45156701

IUPAC3-(2-methylphenyl)prop-2-yn-1-ol
SMILESCc1ccccc1C#CCO
InChIInChI=1S/C10H10O/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6,11H,8H2,1H3
InChIKeyXLUBFUZUMYWJSH-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.34
Rot. Bonds

About 3-(2-methylphenyl)prop-2-yn-1-ol

3-(2-methylphenyl)prop-2-yn-1-ol (PubChem CID 45156701) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-(2-methylphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(2-methylphenyl)prop-2-yn-1-ol
PubChem CID45156701
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name3-(2-methylphenyl)prop-2-yn-1-ol
SMILESCc1ccccc1C#CCO
InChIInChI=1S/C10H10O/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6,11H,8H2,1H3
InChIKeyXLUBFUZUMYWJSH-UHFFFAOYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.34
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

ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
CID 142610234
3-(2-tert-butylphenyl)prop-2-yn-1-ol
CID 58989890
1-methyl-2-(4,4,4-trifluorobut-1-ynyl)benzene
CID 102334510
N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine
CID 34243612
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
1-[3-(2-methylphenyl)prop-2-ynyl]piperidine
CID 12056783
1-(5-chloropent-1-ynyl)-2-methylbenzene
CID 112554310
3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-yn-1-ol
CID 169484952
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide
CID 60804519
1-methyl-2-[(E)-5-phenylpent-4-en-1-ynyl]benzene
CID 164683493
2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 60817021
3-(2-methylphenyl)prop-2-ynoic acid
CID 12754024

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)prop-2-yn-1-ol?
The IUPAC name of 3-(2-methylphenyl)prop-2-yn-1-ol (CID 45156701) is 3-(2-methylphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(2-methylphenyl)prop-2-yn-1-ol?
The canonical SMILES for 3-(2-methylphenyl)prop-2-yn-1-ol is Cc1ccccc1C#CCO.
What is the InChIKey of 3-(2-methylphenyl)prop-2-yn-1-ol?
The InChIKey is XLUBFUZUMYWJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6,11H,8H2,1H3.
What are the key properties of 3-(2-methylphenyl)prop-2-yn-1-ol?
3-(2-methylphenyl)prop-2-yn-1-ol has a molecular weight of 146.19 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 45156701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).