2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol

C14H18O — CID 134967979

IUPAC2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol
SMILESC[C@@H]1[C@@H](/C=C/c2ccccc2)[C@@H]1CCO
InChIInChI=1S/C14H18O/c1-11-13(14(11)9-10-15)8-7-12-5-3-2-4-6-12/h2-8,11,13-15H,9-10H2,1H3/b8-7+/t11-,13-,14-/m1/s1
InChIKeyRIQSBRCEMVBEJE-PZUUBWPISA-N
MW202.30 g/mol
LogP2.96
Rot. Bonds4

About 2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol

2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol (PubChem CID 134967979) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol
PubChem CID134967979
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol
SMILESC[C@@H]1[C@@H](/C=C/c2ccccc2)[C@@H]1CCO
InChIInChI=1S/C14H18O/c1-11-13(14(11)9-10-15)8-7-12-5-3-2-4-6-12/h2-8,11,13-15H,9-10H2,1H3/b8-7+/t11-,13-,14-/m1/s1
InChIKeyRIQSBRCEMVBEJE-PZUUBWPISA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4S,5S)-2,2-diethyl-3,5-dimethyl-4-[(E)-2-phenylethenyl]oxolane
CID 59638532
[(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol
CID 166936172
pentan-1-ol;(E)-stilbene
CID 172553874
(2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol
CID 130359473
2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium
CID 57155174
2-chloroethenylbenzene;methanol
CID 159831331
ethane-1,2-diol;(Z)-3-phenylprop-2-enal
CID 155351611
(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane
CID 11673198
acetic acid;stilbene
CID 172803728
ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide
CID 175283784
ethanol;3-phenylprop-2-enoic acid
CID 158830805
CID 70569152
CID 70569152

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol?
The IUPAC name of 2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol (CID 134967979) is 2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol is C[C@@H]1[C@@H](/C=C/c2ccccc2)[C@@H]1CCO.
What is the InChIKey of 2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol?
The InChIKey is RIQSBRCEMVBEJE-PZUUBWPISA-N. The full InChI is InChI=1S/C14H18O/c1-11-13(14(11)9-10-15)8-7-12-5-3-2-4-6-12/h2-8,11,13-15H,9-10H2,1H3/b8-7+/t11-,13-,14-/m1/s1.
What are the key properties of 2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol?
2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol has a molecular weight of 202.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol is sourced from PubChem (CID 134967979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).