(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol

C15H17BrOS — CID 90394992

IUPAC(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)c(C)cc2C)s1
InChIInChI=1S/C15H17BrOS/c1-4-11-5-6-14(18-11)15(17)12-8-13(16)10(3)7-9(12)2/h5-8,15,17H,4H2,1-3H3
InChIKeySYYUFQHERHOFLB-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.77
Rot. Bonds3

About (5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol

(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol (PubChem CID 90394992) has the molecular formula C15H17BrOS and a molecular weight of 325.27 g/mol. Its IUPAC name is (5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
PubChem CID90394992
Molecular FormulaC15H17BrOS
Molecular Weight325.27 g/mol
Exact Mass324.02
IUPAC Name(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)c(C)cc2C)s1
InChIInChI=1S/C15H17BrOS/c1-4-11-5-6-14(18-11)15(17)12-8-13(16)10(3)7-9(12)2/h5-8,15,17H,4H2,1-3H3
InChIKeySYYUFQHERHOFLB-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol 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

(2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol
CID 61099322
(2,4-difluoro-5-methylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 79731435
N-[(2,5-dibromo-4-methylphenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 81473406
(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990648
(3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100003
(3-bromothiophen-2-yl)-(5-ethylthiophen-2-yl)methanol
CID 63796271
(5-ethylthiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 63426088
(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol
CID 61101728
2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene
CID 81111630
1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 115786511
(2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 107981821
(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100007

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol?
The IUPAC name of (5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol (CID 90394992) is (5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol is CCc1ccc(C(O)c2cc(Br)c(C)cc2C)s1.
What is the InChIKey of (5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol?
The InChIKey is SYYUFQHERHOFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrOS/c1-4-11-5-6-14(18-11)15(17)12-8-13(16)10(3)7-9(12)2/h5-8,15,17H,4H2,1-3H3.
What are the key properties of (5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol?
(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol has a molecular weight of 325.27 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 90394992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).