2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene

C14H14ClFOS — CID 81124104

IUPAC2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene
SMILESCOc1ccsc1C(Cl)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C14H14ClFOS/c1-8-6-10(7-9(2)13(8)16)12(15)14-11(17-3)4-5-18-14/h4-7,12H,1-3H3
InChIKeyRBLCENYGAHXAQV-UHFFFAOYSA-N
MW284.78 g/mol
LogP4.84
Rot. Bonds3

About 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene

2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene (PubChem CID 81124104) has the molecular formula C14H14ClFOS and a molecular weight of 284.78 g/mol. Its IUPAC name is 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene.

Molecular Properties

Compound Name2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene
PubChem CID81124104
Molecular FormulaC14H14ClFOS
Molecular Weight284.78 g/mol
Exact Mass284.04
IUPAC Name2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene
SMILESCOc1ccsc1C(Cl)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C14H14ClFOS/c1-8-6-10(7-9(2)13(8)16)12(15)14-11(17-3)4-5-18-14/h4-7,12H,1-3H3
InChIKeyRBLCENYGAHXAQV-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene 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

3-chloro-2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]thiophene
CID 80640930
2-[chloro-(3,4-difluorophenyl)methyl]-3-methoxythiophene
CID 81124018
2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene
CID 81124184
2-[(4-butan-2-ylphenyl)-chloromethyl]-3-methoxythiophene
CID 81123179
2-[(3-bromo-2,4,6-trimethylphenyl)-chloromethyl]-3-methoxythiophene
CID 114249330
2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene
CID 83068073
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene
CID 81123904
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296595
[(4-fluoro-3-methylphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105302690
1-(2-chloro-4-fluoro-5-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122406
(3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine
CID 115791862
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene?
The IUPAC name of 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene (CID 81124104) is 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene.
What is the SMILES notation for 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene?
The canonical SMILES for 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene is COc1ccsc1C(Cl)c1cc(C)c(F)c(C)c1.
What is the InChIKey of 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene?
The InChIKey is RBLCENYGAHXAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFOS/c1-8-6-10(7-9(2)13(8)16)12(15)14-11(17-3)4-5-18-14/h4-7,12H,1-3H3.
What are the key properties of 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene?
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene has a molecular weight of 284.78 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene is sourced from PubChem (CID 81124104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).