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

C12H16O — CID 28912369

IUPAC(1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol
SMILESCc1ccc([C@H]2C[C@@H]2[C@@H](C)O)cc1
InChIInChI=1S/C12H16O/c1-8-3-5-10(6-4-8)12-7-11(12)9(2)13/h3-6,9,11-13H,7H2,1-2H3/t9-,11-,12-/m1/s1
InChIKeyZLPZLCQXJTVCKY-YUSALJHKSA-N
MW176.26 g/mol
LogP2.48
Rot. Bonds2

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

(1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol (PubChem CID 28912369) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol
PubChem CID28912369
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol
SMILESCc1ccc([C@H]2C[C@@H]2[C@@H](C)O)cc1
InChIInChI=1S/C12H16O/c1-8-3-5-10(6-4-8)12-7-11(12)9(2)13/h3-6,9,11-13H,7H2,1-2H3/t9-,11-,12-/m1/s1
InChIKeyZLPZLCQXJTVCKY-YUSALJHKSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol
CID 124828711
(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol
CID 95002836
(1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol
CID 28912216
(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol
CID 95002894
(1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol
CID 92993338
(1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol
CID 95002839
(1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol
CID 124747303
(1R)-1-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanol
CID 28912472
1-(2-thiophen-3-ylcyclopropyl)ethanol
CID 53275681
(1S)-1-[(1R,2R)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552588
(1R)-1-[(1S,2R)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124669183
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol?
The IUPAC name of (1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol (CID 28912369) is (1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol.
What is the SMILES notation for (1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol?
The canonical SMILES for (1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol is Cc1ccc([C@H]2C[C@@H]2[C@@H](C)O)cc1.
What is the InChIKey of (1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol?
The InChIKey is ZLPZLCQXJTVCKY-YUSALJHKSA-N. The full InChI is InChI=1S/C12H16O/c1-8-3-5-10(6-4-8)12-7-11(12)9(2)13/h3-6,9,11-13H,7H2,1-2H3/t9-,11-,12-/m1/s1.
What are the key properties of (1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol?
(1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol has a molecular weight of 176.26 g/mol, XLogP of 2.48, 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-(4-methylphenyl)cyclopropyl]ethanol is sourced from PubChem (CID 28912369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).