(2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol

C14H18O2 — CID 134980819

IUPAC(2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol
SMILESOCC[C@H]1C=C[C@@H](c2ccccc2)CC1O
InChIInChI=1S/C14H18O2/c15-9-8-12-6-7-13(10-14(12)16)11-4-2-1-3-5-11/h1-7,12-16H,8-10H2/t12-,13-,14?/m1/s1
InChIKeyMVHITVTUTHVKQR-ZFXTZCCVSA-N
MW218.30 g/mol
LogP2.09
Rot. Bonds3

About (2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol

(2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol (PubChem CID 134980819) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol
PubChem CID134980819
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol
SMILESOCC[C@H]1C=C[C@@H](c2ccccc2)CC1O
InChIInChI=1S/C14H18O2/c15-9-8-12-6-7-13(10-14(12)16)11-4-2-1-3-5-11/h1-7,12-16H,8-10H2/t12-,13-,14?/m1/s1
InChIKeyMVHITVTUTHVKQR-ZFXTZCCVSA-N
XLogP2.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol?
The IUPAC name of (2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol (CID 134980819) is (2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol.
What is the SMILES notation for (2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol?
The canonical SMILES for (2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol is OCC[C@H]1C=C[C@@H](c2ccccc2)CC1O.
What is the InChIKey of (2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol?
The InChIKey is MVHITVTUTHVKQR-ZFXTZCCVSA-N. The full InChI is InChI=1S/C14H18O2/c15-9-8-12-6-7-13(10-14(12)16)11-4-2-1-3-5-11/h1-7,12-16H,8-10H2/t12-,13-,14?/m1/s1.
What are the key properties of (2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol?
(2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol is sourced from PubChem (CID 134980819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).