(1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol

C13H18O — CID 94483384

IUPAC(1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol
SMILESCc1cccc([C@](C)(O)C2CC2)c1C
InChIInChI=1S/C13H18O/c1-9-5-4-6-12(10(9)2)13(3,14)11-7-8-11/h4-6,11,14H,7-8H2,1-3H3/t13-/m1/s1
InChIKeyGPNQUEXZANRSBI-CYBMUJFWSA-N
MW190.29 g/mol
LogP2.92
Rot. Bonds2

About (1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol

(1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol (PubChem CID 94483384) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol
PubChem CID94483384
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol
SMILESCc1cccc([C@](C)(O)C2CC2)c1C
InChIInChI=1S/C13H18O/c1-9-5-4-6-12(10(9)2)13(3,14)11-7-8-11/h4-6,11,14H,7-8H2,1-3H3/t13-/m1/s1
InChIKeyGPNQUEXZANRSBI-CYBMUJFWSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol
CID 82290402
(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
CID 93311996
1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine
CID 114997792
1-cyclohexyl-1-(2-methylphenyl)ethanol
CID 43810036
2-(1-cyclopropyl-1-hydroxyethyl)phenol
CID 115015171
1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol
CID 62801339
1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol
CID 105457980
2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 62549372
2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 58543603
2-(2,3-dimethylphenyl)-2-hydroxypropanal
CID 66040528
2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol
CID 118899137
3-(2,3-dimethylphenyl)pentan-3-ol
CID 62549371

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol?
The IUPAC name of (1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol (CID 94483384) is (1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol.
What is the SMILES notation for (1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol?
The canonical SMILES for (1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol is Cc1cccc([C@](C)(O)C2CC2)c1C.
What is the InChIKey of (1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol?
The InChIKey is GPNQUEXZANRSBI-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18O/c1-9-5-4-6-12(10(9)2)13(3,14)11-7-8-11/h4-6,11,14H,7-8H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol?
(1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol has a molecular weight of 190.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol is sourced from PubChem (CID 94483384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).