1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol

C11H12O3 — CID 14037720

IUPAC1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol
SMILESC#CC(O)c1cccc(OC)c1OC
InChIInChI=1S/C11H12O3/c1-4-9(12)8-6-5-7-10(13-2)11(8)14-3/h1,5-7,9,12H,2-3H3
InChIKeySFVGIOCAIBDDOH-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.37
Rot. Bonds3

About 1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol

1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol (PubChem CID 14037720) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol
PubChem CID14037720
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol
SMILESC#CC(O)c1cccc(OC)c1OC
InChIInChI=1S/C11H12O3/c1-4-9(12)8-6-5-7-10(13-2)11(8)14-3/h1,5-7,9,12H,2-3H3
InChIKeySFVGIOCAIBDDOH-UHFFFAOYSA-N
XLogP1.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol
CID 11748515
1-(2,3-dimethoxyphenyl)hex-5-yn-1-ol
CID 113374232
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
1-naphthalen-1-ylprop-2-yn-1-ol
CID 12661155
(1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol
CID 13460352
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
1-(2,3-dimethoxyphenyl)-2-ethoxyethanol
CID 79567811
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790
3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 79135373

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol?
The IUPAC name of 1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol (CID 14037720) is 1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol is C#CC(O)c1cccc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol?
The InChIKey is SFVGIOCAIBDDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-4-9(12)8-6-5-7-10(13-2)11(8)14-3/h1,5-7,9,12H,2-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol?
1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol has a molecular weight of 192.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 14037720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).