3-prop-2-enylphenanthrene

C17H14 — CID 141440932

IUPAC3-prop-2-enylphenanthrene
SMILESC=CCc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C17H14/c1-2-5-13-8-9-15-11-10-14-6-3-4-7-16(14)17(15)12-13/h2-4,6-12H,1,5H2
InChIKeyXUCMOFOYFJPCFG-UHFFFAOYSA-N
MW218.30 g/mol
LogP4.72
Rot. Bonds2

About 3-prop-2-enylphenanthrene

3-prop-2-enylphenanthrene (PubChem CID 141440932) has the molecular formula C17H14 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-prop-2-enylphenanthrene.

Molecular Properties

Compound Name3-prop-2-enylphenanthrene
PubChem CID141440932
Molecular FormulaC17H14
Molecular Weight218.30 g/mol
Exact Mass218.11
IUPAC Name3-prop-2-enylphenanthrene
SMILESC=CCc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C17H14/c1-2-5-13-8-9-15-11-10-14-6-3-4-7-16(14)17(15)12-13/h2-4,6-12H,1,5H2
InChIKeyXUCMOFOYFJPCFG-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

naphtho[1,2-b]phenanthrene
CID 5889
9-phenyl-3-prop-2-enylcarbazole
CID 123281501
2,3-bis(ethenyl)phenanthrene
CID 144756778
2-prop-2-enylpyrene
CID 173060600
3,7-bis(prop-2-enyl)naphthalene-1-carboxylic acid
CID 139984857
prop-2-enylbenzene
CID 159998516
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
3-[tri(phenanthren-3-yl)methyl]phenanthrene
CID 11136326
2-chloro-7-prop-2-enylnaphthalene
CID 58656022
7-prop-2-enylnaphthalen-2-amine
CID 144549063
phenanthrene;sulfane
CID 159172584
phenanthrene;phosphane
CID 161431298

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylphenanthrene?
The IUPAC name of 3-prop-2-enylphenanthrene (CID 141440932) is 3-prop-2-enylphenanthrene.
What is the SMILES notation for 3-prop-2-enylphenanthrene?
The canonical SMILES for 3-prop-2-enylphenanthrene is C=CCc1ccc2ccc3ccccc3c2c1.
What is the InChIKey of 3-prop-2-enylphenanthrene?
The InChIKey is XUCMOFOYFJPCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14/c1-2-5-13-8-9-15-11-10-14-6-3-4-7-16(14)17(15)12-13/h2-4,6-12H,1,5H2.
What are the key properties of 3-prop-2-enylphenanthrene?
3-prop-2-enylphenanthrene has a molecular weight of 218.30 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylphenanthrene is sourced from PubChem (CID 141440932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).