(E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol

C20H20O — CID 162415944

IUPAC(E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol
SMILESO[C@@H](/C=C/c1ccccc1)C12CC(c3ccccc3)(C1)C2
InChIInChI=1S/C20H20O/c21-18(12-11-16-7-3-1-4-8-16)20-13-19(14-20,15-20)17-9-5-2-6-10-17/h1-12,18,21H,13-15H2/b12-11+/t18-,19?,20?/m0/s1
InChIKeyRNZOJJHESSRFCE-LJWZHYDKSA-N
MW276.38 g/mol
LogP4.18
Rot. Bonds4

About (E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol

(E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol (PubChem CID 162415944) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is (E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol
PubChem CID162415944
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name(E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol
SMILESO[C@@H](/C=C/c1ccccc1)C12CC(c3ccccc3)(C1)C2
InChIInChI=1S/C20H20O/c21-18(12-11-16-7-3-1-4-8-16)20-13-19(14-20,15-20)17-9-5-2-6-10-17/h1-12,18,21H,13-15H2/b12-11+/t18-,19?,20?/m0/s1
InChIKeyRNZOJJHESSRFCE-LJWZHYDKSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol?
The IUPAC name of (E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol (CID 162415944) is (E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol.
What is the SMILES notation for (E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol?
The canonical SMILES for (E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol is O[C@@H](/C=C/c1ccccc1)C12CC(c3ccccc3)(C1)C2.
What is the InChIKey of (E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol?
The InChIKey is RNZOJJHESSRFCE-LJWZHYDKSA-N. The full InChI is InChI=1S/C20H20O/c21-18(12-11-16-7-3-1-4-8-16)20-13-19(14-20,15-20)17-9-5-2-6-10-17/h1-12,18,21H,13-15H2/b12-11+/t18-,19?,20?/m0/s1.
What are the key properties of (E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol?
(E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol has a molecular weight of 276.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-3-phenyl-1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)prop-2-en-1-ol is sourced from PubChem (CID 162415944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).