1-prop-1-enylanthracene

C17H14 — CID 54542061

IUPAC1-prop-1-enylanthracene
SMILESCC=Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H14/c1-2-6-13-9-5-10-16-11-14-7-3-4-8-15(14)12-17(13)16/h2-12H,1H3
InChIKeyZDXIJWYBZYCIOU-UHFFFAOYSA-N
MW218.30 g/mol
LogP5.03
Rot. Bonds1

About 1-prop-1-enylanthracene

1-prop-1-enylanthracene (PubChem CID 54542061) has the molecular formula C17H14 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-prop-1-enylanthracene.

Molecular Properties

Compound Name1-prop-1-enylanthracene
PubChem CID54542061
Molecular FormulaC17H14
Molecular Weight218.30 g/mol
Exact Mass218.11
IUPAC Name1-prop-1-enylanthracene
SMILESCC=Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C17H14/c1-2-6-13-9-5-10-16-11-14-7-3-4-8-15(14)12-17(13)16/h2-12H,1H3
InChIKeyZDXIJWYBZYCIOU-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.30
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-anthracen-1-ylethenyl]aniline
CID 87879813
1-[(E)-pent-1-enyl]anthracene
CID 173041440
1,5-bis(prop-1-enyl)naphthalene
CID 139669430
1-penta-1,4-dienylanthracene
CID 173210436
2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline
CID 87767218
3-anthracen-1-ylprop-2-enamide
CID 118453469
3-tetracen-1-ylprop-2-enamide
CID 118453445
(NE)-N-(anthracen-1-ylmethylidene)hydroxylamine
CID 12008629
1-prop-1-enylanthracen-2-ol
CID 88685593
(E)-3-anthracen-1-yl-2-methylprop-2-enoic acid
CID 22062621
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enylanthracene?
The IUPAC name of 1-prop-1-enylanthracene (CID 54542061) is 1-prop-1-enylanthracene.
What is the SMILES notation for 1-prop-1-enylanthracene?
The canonical SMILES for 1-prop-1-enylanthracene is CC=Cc1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-prop-1-enylanthracene?
The InChIKey is ZDXIJWYBZYCIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14/c1-2-6-13-9-5-10-16-11-14-7-3-4-8-15(14)12-17(13)16/h2-12H,1H3.
What are the key properties of 1-prop-1-enylanthracene?
1-prop-1-enylanthracene has a molecular weight of 218.30 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enylanthracene is sourced from PubChem (CID 54542061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).