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

C12H16O2 — CID 92993338

IUPAC(1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol
SMILESCOc1ccc([C@H]2C[C@H]2[C@H](C)O)cc1
InChIInChI=1S/C12H16O2/c1-8(13)11-7-12(11)9-3-5-10(14-2)6-4-9/h3-6,8,11-13H,7H2,1-2H3/t8-,11-,12+/m0/s1
InChIKeyUJVCTYJMLWDKTK-KPXOXKRLSA-N
MW192.26 g/mol
LogP2.18
Rot. Bonds3

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

(1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol (PubChem CID 92993338) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol
PubChem CID92993338
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol
SMILESCOc1ccc([C@H]2C[C@H]2[C@H](C)O)cc1
InChIInChI=1S/C12H16O2/c1-8(13)11-7-12(11)9-3-5-10(14-2)6-4-9/h3-6,8,11-13H,7H2,1-2H3/t8-,11-,12+/m0/s1
InChIKeyUJVCTYJMLWDKTK-KPXOXKRLSA-N
XLogP2.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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-[2-(3-methoxyphenyl)cyclopropyl]ethanol
CID 43828915
(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,2R)-2-(4-bromophenyl)cyclopropyl]ethanol
CID 124828711
(1S)-1-[(1S,2R)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552575
(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol
CID 95002836
(1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol
CID 28912216
(2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide
CID 101477981
(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol
CID 95002894
1-(2-chlorocyclopropyl)-4-methoxybenzene
CID 53421606

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol?
The IUPAC name of (1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol (CID 92993338) is (1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol.
What is the SMILES notation for (1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol?
The canonical SMILES for (1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol is COc1ccc([C@H]2C[C@H]2[C@H](C)O)cc1.
What is the InChIKey of (1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol?
The InChIKey is UJVCTYJMLWDKTK-KPXOXKRLSA-N. The full InChI is InChI=1S/C12H16O2/c1-8(13)11-7-12(11)9-3-5-10(14-2)6-4-9/h3-6,8,11-13H,7H2,1-2H3/t8-,11-,12+/m0/s1.
What are the key properties of (1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol?
(1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol has a molecular weight of 192.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol is sourced from PubChem (CID 92993338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).