1-but-1-enyl-3-chloro-2-methylbenzene

C11H13Cl — CID 143069251

IUPAC1-but-1-enyl-3-chloro-2-methylbenzene
SMILESCCC=Cc1cccc(Cl)c1C
InChIInChI=1S/C11H13Cl/c1-3-4-6-10-7-5-8-11(12)9(10)2/h4-8H,3H2,1-2H3
InChIKeyAYAHYROPEQQGBC-UHFFFAOYSA-N
MW180.68 g/mol
LogP4.07
Rot. Bonds2

About 1-but-1-enyl-3-chloro-2-methylbenzene

1-but-1-enyl-3-chloro-2-methylbenzene (PubChem CID 143069251) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 1-but-1-enyl-3-chloro-2-methylbenzene.

Molecular Properties

Compound Name1-but-1-enyl-3-chloro-2-methylbenzene
PubChem CID143069251
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name1-but-1-enyl-3-chloro-2-methylbenzene
SMILESCCC=Cc1cccc(Cl)c1C
InChIInChI=1S/C11H13Cl/c1-3-4-6-10-7-5-8-11(12)9(10)2/h4-8H,3H2,1-2H3
InChIKeyAYAHYROPEQQGBC-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine
CID 169473159
3-[(E)-but-1-enyl]-2-methylphenol
CID 173140204
1,2-bis(but-1-enyl)benzene
CID 140975855
1-chloro-3-[(E)-2-methoxyethenyl]-2-methylbenzene
CID 167713006
1-chloro-2-methyl-3-[(Z)-3-methylideneoct-1-enyl]benzene
CID 167065428
1-[(Z)-but-1-enyl]-2,4-dichlorobenzene
CID 67080245
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
CID 117276201
(E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine
CID 117278991
2-chloro-6-(3-sulfanylprop-1-enyl)phenol
CID 169456432
3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
CID 169463183
1,2-dichloro-3-(3-chloroprop-1-enyl)benzene
CID 79334722

Frequently Asked Questions

What is the IUPAC name of 1-but-1-enyl-3-chloro-2-methylbenzene?
The IUPAC name of 1-but-1-enyl-3-chloro-2-methylbenzene (CID 143069251) is 1-but-1-enyl-3-chloro-2-methylbenzene.
What is the SMILES notation for 1-but-1-enyl-3-chloro-2-methylbenzene?
The canonical SMILES for 1-but-1-enyl-3-chloro-2-methylbenzene is CCC=Cc1cccc(Cl)c1C.
What is the InChIKey of 1-but-1-enyl-3-chloro-2-methylbenzene?
The InChIKey is AYAHYROPEQQGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-3-4-6-10-7-5-8-11(12)9(10)2/h4-8H,3H2,1-2H3.
What are the key properties of 1-but-1-enyl-3-chloro-2-methylbenzene?
1-but-1-enyl-3-chloro-2-methylbenzene has a molecular weight of 180.68 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enyl-3-chloro-2-methylbenzene is sourced from PubChem (CID 143069251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).