1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol

C13H18O3 — CID 103456984

IUPAC1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
SMILESCOc1ccccc1CC(O)C(O)C1CC1
InChIInChI=1S/C13H18O3/c1-16-12-5-3-2-4-10(12)8-11(14)13(15)9-6-7-9/h2-5,9,11,13-15H,6-8H2,1H3
InChIKeyPBBDYLGAJYKPHT-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.37
Rot. Bonds5

About 1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol

1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol (PubChem CID 103456984) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
PubChem CID103456984
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
SMILESCOc1ccccc1CC(O)C(O)C1CC1
InChIInChI=1S/C13H18O3/c1-16-12-5-3-2-4-10(12)8-11(14)13(15)9-6-7-9/h2-5,9,11,13-15H,6-8H2,1H3
InChIKeyPBBDYLGAJYKPHT-UHFFFAOYSA-N
XLogP1.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 103456969
1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
CID 65459253
1-(2-methoxyphenyl)-3-methylpentan-2-ol
CID 63018266
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
2-(2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424370
1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene
CID 63017211
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
CID 103456830
1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol
CID 64904593
[3-cyclopropyl-1-(2-methoxyphenyl)butan-2-yl]hydrazine
CID 105289407
2-(2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65414979
2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid
CID 79418094

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol?
The IUPAC name of 1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol (CID 103456984) is 1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol.
What is the SMILES notation for 1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol?
The canonical SMILES for 1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol is COc1ccccc1CC(O)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol?
The InChIKey is PBBDYLGAJYKPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-16-12-5-3-2-4-10(12)8-11(14)13(15)9-6-7-9/h2-5,9,11,13-15H,6-8H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol?
1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol has a molecular weight of 222.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 103456984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).