4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene

C11H12ClFO — CID 79323277

IUPAC4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(C=C(C)CCl)cc1F
InChIInChI=1S/C11H12ClFO/c1-8(7-12)5-9-3-4-11(14-2)10(13)6-9/h3-6H,7H2,1-2H3
InChIKeyAPIBBNKPMVYULX-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.48
Rot. Bonds3

About 4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene

4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene (PubChem CID 79323277) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene
PubChem CID79323277
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(C=C(C)CCl)cc1F
InChIInChI=1S/C11H12ClFO/c1-8(7-12)5-9-3-4-11(14-2)10(13)6-9/h3-6H,7H2,1-2H3
InChIKeyAPIBBNKPMVYULX-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-(3-fluoro-4-methoxyphenyl)-2-methylprop-2-enoic acid
CID 75360951
3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid
CID 175687198
1-(3-chloro-2-methylprop-1-enyl)-4-methoxybenzene
CID 70503857
2-fluoro-1-methoxy-4-[(Z)-prop-1-enyl]benzene
CID 89214700
N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 74061800
3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334564
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
4-[(E)-3-chlorobut-1-enyl]-2-fluoro-1-methoxybenzene
CID 130539005
N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79338705
(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 131431095
(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
CID 60666436
2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79330355

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene (CID 79323277) is 4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene is COc1ccc(C=C(C)CCl)cc1F.
What is the InChIKey of 4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene?
The InChIKey is APIBBNKPMVYULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-8(7-12)5-9-3-4-11(14-2)10(13)6-9/h3-6H,7H2,1-2H3.
What are the key properties of 4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene?
4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene has a molecular weight of 214.67 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 79323277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).