1-ethenyl-3,4-dihydrophenanthrene

C16H14 — CID 11127443

IUPAC1-ethenyl-3,4-dihydrophenanthrene
SMILESC=CC1=CCCc2c1ccc1ccccc21
InChIInChI=1S/C16H14/c1-2-12-7-5-9-16-14-8-4-3-6-13(14)10-11-15(12)16/h2-4,6-8,10-11H,1,5,9H2
InChIKeyVRCKCXQPRCCPKL-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.36
Rot. Bonds1

About 1-ethenyl-3,4-dihydrophenanthrene

1-ethenyl-3,4-dihydrophenanthrene (PubChem CID 11127443) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-ethenyl-3,4-dihydrophenanthrene.

Molecular Properties

Compound Name1-ethenyl-3,4-dihydrophenanthrene
PubChem CID11127443
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name1-ethenyl-3,4-dihydrophenanthrene
SMILESC=CC1=CCCc2c1ccc1ccccc21
InChIInChI=1S/C16H14/c1-2-12-7-5-9-16-14-8-4-3-6-13(14)10-11-15(12)16/h2-4,6-8,10-11H,1,5,9H2
InChIKeyVRCKCXQPRCCPKL-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,4-dihydrophenanthrene?
The IUPAC name of 1-ethenyl-3,4-dihydrophenanthrene (CID 11127443) is 1-ethenyl-3,4-dihydrophenanthrene.
What is the SMILES notation for 1-ethenyl-3,4-dihydrophenanthrene?
The canonical SMILES for 1-ethenyl-3,4-dihydrophenanthrene is C=CC1=CCCc2c1ccc1ccccc21.
What is the InChIKey of 1-ethenyl-3,4-dihydrophenanthrene?
The InChIKey is VRCKCXQPRCCPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-2-12-7-5-9-16-14-8-4-3-6-13(14)10-11-15(12)16/h2-4,6-8,10-11H,1,5,9H2.
What are the key properties of 1-ethenyl-3,4-dihydrophenanthrene?
1-ethenyl-3,4-dihydrophenanthrene has a molecular weight of 206.29 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,4-dihydrophenanthrene is sourced from PubChem (CID 11127443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).