2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene

C11H13ClO — CID 169477246

IUPAC2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1C=CCCl
InChIInChI=1S/C11H13ClO/c1-9-5-6-11(13-2)10(8-9)4-3-7-12/h3-6,8H,7H2,1-2H3
InChIKeyMIPIYYQYPQLCAM-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.26
Rot. Bonds3

About 2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene

2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene (PubChem CID 169477246) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
PubChem CID169477246
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1C=CCCl
InChIInChI=1S/C11H13ClO/c1-9-5-6-11(13-2)10(8-9)4-3-7-12/h3-6,8H,7H2,1-2H3
InChIKeyMIPIYYQYPQLCAM-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol
CID 143867297
ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene
CID 143806665
methyl 3-(3-chloroprop-1-enyl)-4-methoxybenzoate
CID 169478133
ethane;1-methoxy-2-[(E)-7-methoxyhept-1-enyl]-4-methylbenzene
CID 143822214
ethane;1-methoxy-2-[(E)-7-methoxyhept-1-enyl]-4-methylbenzene
CID 143806752
ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene
CID 143806811
(E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol
CID 143867243
2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene
CID 169476893
ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol
CID 143867312
ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol
CID 143822201
2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene
CID 79335637
(E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol
CID 143867345

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene?
The IUPAC name of 2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene (CID 169477246) is 2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene is COc1ccc(C)cc1C=CCCl.
What is the InChIKey of 2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene?
The InChIKey is MIPIYYQYPQLCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-9-5-6-11(13-2)10(8-9)4-3-7-12/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene?
2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene has a molecular weight of 196.68 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene is sourced from PubChem (CID 169477246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).