1-ethenyl-2-methylphenanthrene

C17H14 — CID 18927842

IUPAC1-ethenyl-2-methylphenanthrene
SMILESC=Cc1c(C)ccc2c1ccc1ccccc12
InChIInChI=1S/C17H14/c1-3-14-12(2)8-10-17-15-7-5-4-6-13(15)9-11-16(14)17/h3-11H,1H2,2H3
InChIKeyFCQOCQFACDHJQX-UHFFFAOYSA-N
MW218.30 g/mol
LogP4.94
Rot. Bonds1

About 1-ethenyl-2-methylphenanthrene

1-ethenyl-2-methylphenanthrene (PubChem CID 18927842) has the molecular formula C17H14 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-ethenyl-2-methylphenanthrene.

Molecular Properties

Compound Name1-ethenyl-2-methylphenanthrene
PubChem CID18927842
Molecular FormulaC17H14
Molecular Weight218.30 g/mol
Exact Mass218.11
IUPAC Name1-ethenyl-2-methylphenanthrene
SMILESC=Cc1c(C)ccc2c1ccc1ccccc12
InChIInChI=1S/C17H14/c1-3-14-12(2)8-10-17-15-7-5-4-6-13(15)9-11-16(14)17/h3-11H,1H2,2H3
InChIKeyFCQOCQFACDHJQX-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-ethenyl-10-methylphenanthrene
CID 123648763
2-methyl-1-prop-1-enylnaphthalene
CID 123646968
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
ethene;picene
CID 175286520
1-chloro-2-methylphenanthrene
CID 121302628
butane;chrysene;ethane
CID 143984277
methane;1-methylphenanthrene
CID 175001905
chrysene;iron
CID 157379031
(1-ethenylphenanthren-2-yl)-phenylmethanamine
CID 144681255
1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene
CID 144673774
CID 174952832
CID 174952832
3-(2-methylnaphthalen-1-yl)prop-2-enal
CID 169459674

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methylphenanthrene?
The IUPAC name of 1-ethenyl-2-methylphenanthrene (CID 18927842) is 1-ethenyl-2-methylphenanthrene.
What is the SMILES notation for 1-ethenyl-2-methylphenanthrene?
The canonical SMILES for 1-ethenyl-2-methylphenanthrene is C=Cc1c(C)ccc2c1ccc1ccccc12.
What is the InChIKey of 1-ethenyl-2-methylphenanthrene?
The InChIKey is FCQOCQFACDHJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14/c1-3-14-12(2)8-10-17-15-7-5-4-6-13(15)9-11-16(14)17/h3-11H,1H2,2H3.
What are the key properties of 1-ethenyl-2-methylphenanthrene?
1-ethenyl-2-methylphenanthrene has a molecular weight of 218.30 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methylphenanthrene is sourced from PubChem (CID 18927842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).