2-methyl-3-prop-2-ynylphenol

C10H10O — CID 141003345

IUPAC2-methyl-3-prop-2-ynylphenol
SMILESC#CCc1cccc(O)c1C
InChIInChI=1S/C10H10O/c1-3-5-9-6-4-7-10(11)8(9)2/h1,4,6-7,11H,5H2,2H3
InChIKeyAHFSPBKGRMWLRR-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.88
Rot. Bonds1

About 2-methyl-3-prop-2-ynylphenol

2-methyl-3-prop-2-ynylphenol (PubChem CID 141003345) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-methyl-3-prop-2-ynylphenol.

Molecular Properties

Compound Name2-methyl-3-prop-2-ynylphenol
PubChem CID141003345
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name2-methyl-3-prop-2-ynylphenol
SMILESC#CCc1cccc(O)c1C
InChIInChI=1S/C10H10O/c1-3-5-9-6-4-7-10(11)8(9)2/h1,4,6-7,11H,5H2,2H3
InChIKeyAHFSPBKGRMWLRR-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.88
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

2-prop-2-ynylphenol
CID 11658299
2-methyl-6-prop-2-ynylphenol
CID 19103109
1,2,3-trimethyl-4-prop-2-ynylbenzene
CID 91806221
2-methylbenzene-1,3-diol
CID 139200813
(NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine
CID 173289314
3-(2-hydroxy-2-methylpropyl)-2-methylphenol
CID 154515980
3-[2-[amino(methyl)amino]ethyl]-2-methylphenol
CID 137451033
2-methyl-3-(4-methylpentyl)phenol
CID 154091292
1,2-dimethoxy-3-prop-2-ynylbenzene
CID 119082494
1-methylsulfanyl-2-prop-2-ynylbenzene
CID 19849500
3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol
CID 54300976
N-(2-prop-2-ynylphenyl)acetamide
CID 57178754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-ynylphenol?
The IUPAC name of 2-methyl-3-prop-2-ynylphenol (CID 141003345) is 2-methyl-3-prop-2-ynylphenol.
What is the SMILES notation for 2-methyl-3-prop-2-ynylphenol?
The canonical SMILES for 2-methyl-3-prop-2-ynylphenol is C#CCc1cccc(O)c1C.
What is the InChIKey of 2-methyl-3-prop-2-ynylphenol?
The InChIKey is AHFSPBKGRMWLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-3-5-9-6-4-7-10(11)8(9)2/h1,4,6-7,11H,5H2,2H3.
What are the key properties of 2-methyl-3-prop-2-ynylphenol?
2-methyl-3-prop-2-ynylphenol has a molecular weight of 146.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-ynylphenol is sourced from PubChem (CID 141003345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).