3-(1-phenylethenyl)-1,2-dihydrophenanthrene

C22H18 — CID 134887921

IUPAC3-(1-phenylethenyl)-1,2-dihydrophenanthrene
SMILESC=C(C1=Cc2c(ccc3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C22H18/c1-16(17-7-3-2-4-8-17)20-14-13-19-12-11-18-9-5-6-10-21(18)22(19)15-20/h2-12,15H,1,13-14H2
InChIKeyLCRGNQAOHJPMNY-UHFFFAOYSA-N
MW282.39 g/mol
LogP5.88
Rot. Bonds2

About 3-(1-phenylethenyl)-1,2-dihydrophenanthrene

3-(1-phenylethenyl)-1,2-dihydrophenanthrene (PubChem CID 134887921) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(1-phenylethenyl)-1,2-dihydrophenanthrene.

Molecular Properties

Compound Name3-(1-phenylethenyl)-1,2-dihydrophenanthrene
PubChem CID134887921
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name3-(1-phenylethenyl)-1,2-dihydrophenanthrene
SMILESC=C(C1=Cc2c(ccc3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C22H18/c1-16(17-7-3-2-4-8-17)20-14-13-19-12-11-18-9-5-6-10-21(18)22(19)15-20/h2-12,15H,1,13-14H2
InChIKeyLCRGNQAOHJPMNY-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethenyl)-1,2-dihydrophenanthrene?
The IUPAC name of 3-(1-phenylethenyl)-1,2-dihydrophenanthrene (CID 134887921) is 3-(1-phenylethenyl)-1,2-dihydrophenanthrene.
What is the SMILES notation for 3-(1-phenylethenyl)-1,2-dihydrophenanthrene?
The canonical SMILES for 3-(1-phenylethenyl)-1,2-dihydrophenanthrene is C=C(C1=Cc2c(ccc3ccccc23)CC1)c1ccccc1.
What is the InChIKey of 3-(1-phenylethenyl)-1,2-dihydrophenanthrene?
The InChIKey is LCRGNQAOHJPMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18/c1-16(17-7-3-2-4-8-17)20-14-13-19-12-11-18-9-5-6-10-21(18)22(19)15-20/h2-12,15H,1,13-14H2.
What are the key properties of 3-(1-phenylethenyl)-1,2-dihydrophenanthrene?
3-(1-phenylethenyl)-1,2-dihydrophenanthrene has a molecular weight of 282.39 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethenyl)-1,2-dihydrophenanthrene is sourced from PubChem (CID 134887921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).