(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol

C13H18O — CID 95002894

IUPAC(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol
SMILESCc1ccc([C@H]2C[C@@H]2[C@@H](C)O)cc1C
InChIInChI=1S/C13H18O/c1-8-4-5-11(6-9(8)2)13-7-12(13)10(3)14/h4-6,10,12-14H,7H2,1-3H3/t10-,12-,13-/m1/s1
InChIKeyQHYNQMYSKHTPDE-RAIGVLPGSA-N
MW190.29 g/mol
LogP2.79
Rot. Bonds2

About (1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol

(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol (PubChem CID 95002894) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol
PubChem CID95002894
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol
SMILESCc1ccc([C@H]2C[C@@H]2[C@@H](C)O)cc1C
InChIInChI=1S/C13H18O/c1-8-4-5-11(6-9(8)2)13-7-12(13)10(3)14/h4-6,10,12-14H,7H2,1-3H3/t10-,12-,13-/m1/s1
InChIKeyQHYNQMYSKHTPDE-RAIGVLPGSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol
CID 28912369
(1R)-1-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanol
CID 28912472
(1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol
CID 95002839
(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol
CID 124828711
1-[2-(3-chlorophenyl)cyclopropyl]ethanol
CID 53275693
(1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol
CID 92993338
(1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol
CID 28912216
(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol
CID 95002836
1-[2-(3-methoxyphenyl)cyclopropyl]ethanol
CID 43828915
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 62122616
(1R)-1-[(1S,2R)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124669183

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol?
The IUPAC name of (1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol (CID 95002894) is (1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol.
What is the SMILES notation for (1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol?
The canonical SMILES for (1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol is Cc1ccc([C@H]2C[C@@H]2[C@@H](C)O)cc1C.
What is the InChIKey of (1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol?
The InChIKey is QHYNQMYSKHTPDE-RAIGVLPGSA-N. The full InChI is InChI=1S/C13H18O/c1-8-4-5-11(6-9(8)2)13-7-12(13)10(3)14/h4-6,10,12-14H,7H2,1-3H3/t10-,12-,13-/m1/s1.
What are the key properties of (1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol?
(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol has a molecular weight of 190.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol is sourced from PubChem (CID 95002894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).