(4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol

C18H18O2 — CID 102486491

IUPAC(4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol
SMILESOC1C[C@@H](/C=C/c2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C18H18O2/c19-18-12-15(13-20-18)7-6-14-8-10-17(11-9-14)16-4-2-1-3-5-16/h1-11,15,18-19H,12-13H2/b7-6+/t15-,18?/m1/s1
InChIKeyPWPQHARRRIGICQ-YESYHSDWSA-N
MW266.34 g/mol
LogP3.72
Rot. Bonds3

About (4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol

(4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol (PubChem CID 102486491) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol.

Molecular Properties

Compound Name(4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol
PubChem CID102486491
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol
SMILESOC1C[C@@H](/C=C/c2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C18H18O2/c19-18-12-15(13-20-18)7-6-14-8-10-17(11-9-14)16-4-2-1-3-5-16/h1-11,15,18-19H,12-13H2/b7-6+/t15-,18?/m1/s1
InChIKeyPWPQHARRRIGICQ-YESYHSDWSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol?
The IUPAC name of (4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol (CID 102486491) is (4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol.
What is the SMILES notation for (4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol?
The canonical SMILES for (4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol is OC1C[C@@H](/C=C/c2ccc(-c3ccccc3)cc2)CO1.
What is the InChIKey of (4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol?
The InChIKey is PWPQHARRRIGICQ-YESYHSDWSA-N. The full InChI is InChI=1S/C18H18O2/c19-18-12-15(13-20-18)7-6-14-8-10-17(11-9-14)16-4-2-1-3-5-16/h1-11,15,18-19H,12-13H2/b7-6+/t15-,18?/m1/s1.
What are the key properties of (4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol?
(4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol has a molecular weight of 266.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol is sourced from PubChem (CID 102486491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).