1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol

C12H16O3 — CID 103456830

IUPAC1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
SMILESCOc1ccccc1C(O)C(O)C1CC1
InChIInChI=1S/C12H16O3/c1-15-10-5-3-2-4-9(10)12(14)11(13)8-6-7-8/h2-5,8,11-14H,6-7H2,1H3
InChIKeyZWAXZHODHZKOOU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.50
Rot. Bonds4

About 1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol

1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol (PubChem CID 103456830) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
PubChem CID103456830
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
SMILESCOc1ccccc1C(O)C(O)C1CC1
InChIInChI=1S/C12H16O3/c1-15-10-5-3-2-4-9(10)12(14)11(13)8-6-7-8/h2-5,8,11-14H,6-7H2,1H3
InChIKeyZWAXZHODHZKOOU-UHFFFAOYSA-N
XLogP1.50
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45072420
1-cyclopropyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
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(2-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105078522
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
CID 65190124
1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol
CID 103459031
1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
CID 103456984
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011725
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol
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1-chloro-1-(2-methoxyphenyl)propan-2-ol
CID 69345469

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol?
The IUPAC name of 1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol (CID 103456830) is 1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol.
What is the SMILES notation for 1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol?
The canonical SMILES for 1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol is COc1ccccc1C(O)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol?
The InChIKey is ZWAXZHODHZKOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-15-10-5-3-2-4-9(10)12(14)11(13)8-6-7-8/h2-5,8,11-14H,6-7H2,1H3.
What are the key properties of 1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol?
1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol has a molecular weight of 208.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol is sourced from PubChem (CID 103456830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).