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

C14H18O — CID 155815165

IUPAC2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol
SMILESCc1ccc(/C=C/[C@H]2C[C@@H]2CCO)cc1
InChIInChI=1S/C14H18O/c1-11-2-4-12(5-3-11)6-7-13-10-14(13)8-9-15/h2-7,13-15H,8-10H2,1H3/b7-6+/t13-,14-/m0/s1
InChIKeyVUPGNPPJXABLLJ-AGKLADILSA-N
MW202.30 g/mol
LogP3.03
Rot. Bonds4

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

2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol (PubChem CID 155815165) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol
PubChem CID155815165
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol
SMILESCc1ccc(/C=C/[C@H]2C[C@@H]2CCO)cc1
InChIInChI=1S/C14H18O/c1-11-2-4-12(5-3-11)6-7-13-10-14(13)8-9-15/h2-7,13-15H,8-10H2,1H3/b7-6+/t13-,14-/m0/s1
InChIKeyVUPGNPPJXABLLJ-AGKLADILSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol?
The IUPAC name of 2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol (CID 155815165) is 2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol is Cc1ccc(/C=C/[C@H]2C[C@@H]2CCO)cc1.
What is the InChIKey of 2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol?
The InChIKey is VUPGNPPJXABLLJ-AGKLADILSA-N. The full InChI is InChI=1S/C14H18O/c1-11-2-4-12(5-3-11)6-7-13-10-14(13)8-9-15/h2-7,13-15H,8-10H2,1H3/b7-6+/t13-,14-/m0/s1.
What are the key properties of 2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol?
2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol has a molecular weight of 202.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-[(E)-2-(4-methylphenyl)ethenyl]cyclopropyl]ethanol is sourced from PubChem (CID 155815165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).