2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene

C19H17BrOS — CID 86301809

IUPAC2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene
SMILESCc1cc(-c2ccccc2)sc1COCc1ccc(Br)cc1
InChIInChI=1S/C19H17BrOS/c1-14-11-18(16-5-3-2-4-6-16)22-19(14)13-21-12-15-7-9-17(20)10-8-15/h2-11H,12-13H2,1H3
InChIKeyWXHNMFHJBWUGNE-UHFFFAOYSA-N
MW373.31 g/mol
LogP6.20
Rot. Bonds5

About 2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene

2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene (PubChem CID 86301809) has the molecular formula C19H17BrOS and a molecular weight of 373.31 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene
PubChem CID86301809
Molecular FormulaC19H17BrOS
Molecular Weight373.31 g/mol
Exact Mass372.02
IUPAC Name2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene
SMILESCc1cc(-c2ccccc2)sc1COCc1ccc(Br)cc1
InChIInChI=1S/C19H17BrOS/c1-14-11-18(16-5-3-2-4-6-16)22-19(14)13-21-12-15-7-9-17(20)10-8-15/h2-11H,12-13H2,1H3
InChIKeyWXHNMFHJBWUGNE-UHFFFAOYSA-N
XLogP6.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.31
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene?
The IUPAC name of 2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene (CID 86301809) is 2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene.
What is the SMILES notation for 2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene?
The canonical SMILES for 2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene is Cc1cc(-c2ccccc2)sc1COCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene?
The InChIKey is WXHNMFHJBWUGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrOS/c1-14-11-18(16-5-3-2-4-6-16)22-19(14)13-21-12-15-7-9-17(20)10-8-15/h2-11H,12-13H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene?
2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene has a molecular weight of 373.31 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxymethyl]-3-methyl-5-phenylthiophene is sourced from PubChem (CID 86301809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).