1-(2,6-dimethoxyphenyl)prop-2-en-1-ol

C11H14O3 — CID 115814673

IUPAC1-(2,6-dimethoxyphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1c(OC)cccc1OC
InChIInChI=1S/C11H14O3/c1-4-8(12)11-9(13-2)6-5-7-10(11)14-3/h4-8,12H,1H2,2-3H3
InChIKeyTZQGMSUEEIPUEV-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.92
Rot. Bonds4

About 1-(2,6-dimethoxyphenyl)prop-2-en-1-ol

1-(2,6-dimethoxyphenyl)prop-2-en-1-ol (PubChem CID 115814673) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)prop-2-en-1-ol
PubChem CID115814673
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(2,6-dimethoxyphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1c(OC)cccc1OC
InChIInChI=1S/C11H14O3/c1-4-8(12)11-9(13-2)6-5-7-10(11)14-3/h4-8,12H,1H2,2-3H3
InChIKeyTZQGMSUEEIPUEV-UHFFFAOYSA-N
XLogP1.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine
CID 55278131
1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol
CID 171366869
(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol
CID 165492310
(1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol
CID 11149486
(1S)-1-(2,6-dimethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171220704
1-(2-methoxyphenoxy)but-3-en-2-ol
CID 86137299
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
2-[(1S)-1-aminobut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171235923
1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol
CID 115814693
[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol
CID 116809823
2-(1-chloroethyl)-1,3-dimethoxybenzene
CID 130480511

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 1-(2,6-dimethoxyphenyl)prop-2-en-1-ol (CID 115814673) is 1-(2,6-dimethoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)prop-2-en-1-ol is C=CC(O)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)prop-2-en-1-ol?
The InChIKey is TZQGMSUEEIPUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-8(12)11-9(13-2)6-5-7-10(11)14-3/h4-8,12H,1H2,2-3H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)prop-2-en-1-ol?
1-(2,6-dimethoxyphenyl)prop-2-en-1-ol has a molecular weight of 194.23 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 115814673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).