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

C13H18O — CID 28912216

IUPAC(1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol
SMILESCCc1ccc([C@H]2C[C@@H]2[C@@H](C)O)cc1
InChIInChI=1S/C13H18O/c1-3-10-4-6-11(7-5-10)13-8-12(13)9(2)14/h4-7,9,12-14H,3,8H2,1-2H3/t9-,12-,13-/m1/s1
InChIKeyPUQXZUAHIHMNLJ-OASPWFOLSA-N
MW190.29 g/mol
LogP2.73
Rot. Bonds3

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

(1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol (PubChem CID 28912216) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol
PubChem CID28912216
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol
SMILESCCc1ccc([C@H]2C[C@@H]2[C@@H](C)O)cc1
InChIInChI=1S/C13H18O/c1-3-10-4-6-11(7-5-10)13-8-12(13)9(2)14/h4-7,9,12-14H,3,8H2,1-2H3/t9-,12-,13-/m1/s1
InChIKeyPUQXZUAHIHMNLJ-OASPWFOLSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.73
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
(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol
CID 124828711
(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol
CID 95002836
(1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol
CID 92993338
(1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol
CID 124747303
1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene
CID 163766183
(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol
CID 95002894
1-(2-chlorocyclopropyl)-4-ethylbenzene
CID 154973164
(1R)-1-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanol
CID 28912472
1-(2-thiophen-3-ylcyclopropyl)ethanol
CID 53275681
N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712268
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol?
The IUPAC name of (1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol (CID 28912216) is (1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol.
What is the SMILES notation for (1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol?
The canonical SMILES for (1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol is CCc1ccc([C@H]2C[C@@H]2[C@@H](C)O)cc1.
What is the InChIKey of (1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol?
The InChIKey is PUQXZUAHIHMNLJ-OASPWFOLSA-N. The full InChI is InChI=1S/C13H18O/c1-3-10-4-6-11(7-5-10)13-8-12(13)9(2)14/h4-7,9,12-14H,3,8H2,1-2H3/t9-,12-,13-/m1/s1.
What are the key properties of (1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol?
(1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol has a molecular weight of 190.29 g/mol, XLogP of 2.73, 3 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-(4-ethylphenyl)cyclopropyl]ethanol is sourced from PubChem (CID 28912216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).