2-chloro-7-prop-2-enylnaphthalene

C13H11Cl — CID 58656022

IUPAC2-chloro-7-prop-2-enylnaphthalene
SMILESC=CCc1ccc2ccc(Cl)cc2c1
InChIInChI=1S/C13H11Cl/c1-2-3-10-4-5-11-6-7-13(14)9-12(11)8-10/h2,4-9H,1,3H2
InChIKeyUJYCHKBEVXRITC-UHFFFAOYSA-N
MW202.68 g/mol
LogP4.22
Rot. Bonds2

About 2-chloro-7-prop-2-enylnaphthalene

2-chloro-7-prop-2-enylnaphthalene (PubChem CID 58656022) has the molecular formula C13H11Cl and a molecular weight of 202.68 g/mol. Its IUPAC name is 2-chloro-7-prop-2-enylnaphthalene.

Molecular Properties

Compound Name2-chloro-7-prop-2-enylnaphthalene
PubChem CID58656022
Molecular FormulaC13H11Cl
Molecular Weight202.68 g/mol
Exact Mass202.05
IUPAC Name2-chloro-7-prop-2-enylnaphthalene
SMILESC=CCc1ccc2ccc(Cl)cc2c1
InChIInChI=1S/C13H11Cl/c1-2-3-10-4-5-11-6-7-13(14)9-12(11)8-10/h2,4-9H,1,3H2
InChIKeyUJYCHKBEVXRITC-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-prop-2-enylnaphthalen-2-amine
CID 144549063
2-chloro-7-ethenylnaphthalene
CID 135395859
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
1-chloro-4-(3-prop-2-enylphenyl)benzene
CID 57162575
3-prop-2-enylphenanthrene
CID 141440932
1-chloro-2-methyl-4-prop-2-enylbenzene
CID 2757698
2-oxido-6-prop-2-enylisoquinolin-2-ium
CID 54561438
1-(6-prop-2-enylnaphthalen-2-yl)ethanol
CID 67804497
2-prop-2-enylpyrene
CID 173060600
3,7-bis(prop-2-enyl)naphthalene-1-carboxylic acid
CID 139984857
2-fluoro-5-prop-2-enylbenzonitrile
CID 24721770
2-(5-chlorobenzotriazol-2-yl)-4-prop-2-enylphenol
CID 70631228

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-prop-2-enylnaphthalene?
The IUPAC name of 2-chloro-7-prop-2-enylnaphthalene (CID 58656022) is 2-chloro-7-prop-2-enylnaphthalene.
What is the SMILES notation for 2-chloro-7-prop-2-enylnaphthalene?
The canonical SMILES for 2-chloro-7-prop-2-enylnaphthalene is C=CCc1ccc2ccc(Cl)cc2c1.
What is the InChIKey of 2-chloro-7-prop-2-enylnaphthalene?
The InChIKey is UJYCHKBEVXRITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl/c1-2-3-10-4-5-11-6-7-13(14)9-12(11)8-10/h2,4-9H,1,3H2.
What are the key properties of 2-chloro-7-prop-2-enylnaphthalene?
2-chloro-7-prop-2-enylnaphthalene has a molecular weight of 202.68 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-prop-2-enylnaphthalene is sourced from PubChem (CID 58656022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).