[(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol

C15H20O2 — CID 166936172

IUPAC[(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol
SMILESOC[C@@H]1CC[C@@H](/C=C/c2ccccc2)[C@@H]1CO
InChIInChI=1S/C15H20O2/c16-10-14-9-8-13(15(14)11-17)7-6-12-4-2-1-3-5-12/h1-7,13-17H,8-11H2/b7-6+/t13-,14+,15+/m1/s1
InChIKeyJPZLENWQEOFYDO-CPOCNVOOSA-N
MW232.32 g/mol
LogP2.33
Rot. Bonds4

About [(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol

[(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol (PubChem CID 166936172) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol
PubChem CID166936172
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol
SMILESOC[C@@H]1CC[C@@H](/C=C/c2ccccc2)[C@@H]1CO
InChIInChI=1S/C15H20O2/c16-10-14-9-8-13(15(14)11-17)7-6-12-4-2-1-3-5-12/h1-7,13-17H,8-11H2/b7-6+/t13-,14+,15+/m1/s1
InChIKeyJPZLENWQEOFYDO-CPOCNVOOSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
(1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine
CID 102006219
ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene
CID 162435875
(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170021549
[(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene
CID 11266699
1,3-dibenzyl-2-[(Z)-2-phenylethenyl]imidazolidine
CID 92896790
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987
2-[(E)-2-phenylethenyl]cyclobutan-1-one
CID 131241395
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
CID 103751614
2-[(1R,2S,3R)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropyl]ethanol
CID 134967979

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol?
The IUPAC name of [(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol (CID 166936172) is [(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol.
What is the SMILES notation for [(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol?
The canonical SMILES for [(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol is OC[C@@H]1CC[C@@H](/C=C/c2ccccc2)[C@@H]1CO.
What is the InChIKey of [(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol?
The InChIKey is JPZLENWQEOFYDO-CPOCNVOOSA-N. The full InChI is InChI=1S/C15H20O2/c16-10-14-9-8-13(15(14)11-17)7-6-12-4-2-1-3-5-12/h1-7,13-17H,8-11H2/b7-6+/t13-,14+,15+/m1/s1.
What are the key properties of [(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol?
[(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol has a molecular weight of 232.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol is sourced from PubChem (CID 166936172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).