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

C14H15BrO2S — CID 81123973

IUPAC(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2cc(C)c(Br)cc2C)c1
InChIInChI=1S/C14H15BrO2S/c1-8-5-12(15)9(2)4-11(8)14(16)13-6-10(17-3)7-18-13/h4-7,14,16H,1-3H3
InChIKeyZOJLZUGHNCKHMD-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.22
Rot. Bonds3

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

(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol (PubChem CID 81123973) has the molecular formula C14H15BrO2S and a molecular weight of 327.24 g/mol. Its IUPAC name is (4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
PubChem CID81123973
Molecular FormulaC14H15BrO2S
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2cc(C)c(Br)cc2C)c1
InChIInChI=1S/C14H15BrO2S/c1-8-5-12(15)9(2)4-11(8)14(16)13-6-10(17-3)7-18-13/h4-7,14,16H,1-3H3
InChIKeyZOJLZUGHNCKHMD-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81127102
(2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81123580
(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115821638
(5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118645
(4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81119806
(4-methoxy-3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 83068716
(4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol
CID 114021565
(2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115794422
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
(2-methoxy-4,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 106682646
(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115828533

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol?
The IUPAC name of (4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol (CID 81123973) is (4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol is COc1csc(C(O)c2cc(C)c(Br)cc2C)c1.
What is the InChIKey of (4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol?
The InChIKey is ZOJLZUGHNCKHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2S/c1-8-5-12(15)9(2)4-11(8)14(16)13-6-10(17-3)7-18-13/h4-7,14,16H,1-3H3.
What are the key properties of (4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol?
(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol has a molecular weight of 327.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol is sourced from PubChem (CID 81123973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).