(1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol

C14H20O — CID 118556579

IUPAC(1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol
SMILESC[C@H](O)[C@@]1(C)C[C@H]1[C@@H](C)c1ccccc1
InChIInChI=1S/C14H20O/c1-10(12-7-5-4-6-8-12)13-9-14(13,3)11(2)15/h4-8,10-11,13,15H,9H2,1-3H3/t10-,11-,13-,14+/m0/s1
InChIKeyGOVFHSJWKJPKRE-AUZPSNTRSA-N
MW204.31 g/mol
LogP3.20
Rot. Bonds3

About (1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol

(1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol (PubChem CID 118556579) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol
PubChem CID118556579
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol
SMILESC[C@H](O)[C@@]1(C)C[C@H]1[C@@H](C)c1ccccc1
InChIInChI=1S/C14H20O/c1-10(12-7-5-4-6-8-12)13-9-14(13,3)11(2)15/h4-8,10-11,13,15H,9H2,1-3H3/t10-,11-,13-,14+/m0/s1
InChIKeyGOVFHSJWKJPKRE-AUZPSNTRSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde
CID 78427687
[(1R)-1-[2-methyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethyl]benzene
CID 144703785
1-phenyl-2-(1-phenylethyl)cyclopropane-1-carboxamide
CID 69092013
[(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene
CID 126633442
[(1R,2S)-1-methyl-2-[(1R)-1-(4-methylphenyl)ethyl]cyclopropyl]methanol
CID 90431842
[1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol
CID 78427816
[(1S,2S)-1-methyl-2-[(1S)-1-(4-methylphenyl)ethyl]cyclopropyl]methanol
CID 118556574
1-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol
CID 10059941
[(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol
CID 118564167
(1S)-1-phenylethanol
CID 157125626
[(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol
CID 126633580
[(1S)-1-cyclopentylethyl]benzene
CID 102346711

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol?
The IUPAC name of (1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol (CID 118556579) is (1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol.
What is the SMILES notation for (1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol?
The canonical SMILES for (1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol is C[C@H](O)[C@@]1(C)C[C@H]1[C@@H](C)c1ccccc1.
What is the InChIKey of (1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol?
The InChIKey is GOVFHSJWKJPKRE-AUZPSNTRSA-N. The full InChI is InChI=1S/C14H20O/c1-10(12-7-5-4-6-8-12)13-9-14(13,3)11(2)15/h4-8,10-11,13,15H,9H2,1-3H3/t10-,11-,13-,14+/m0/s1.
What are the key properties of (1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol?
(1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol has a molecular weight of 204.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol is sourced from PubChem (CID 118556579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).