(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol

C14H15BrO4S — CID 61081754

IUPAC(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2ccc(Br)s2)cc1OC
InChIInChI=1S/C14H15BrO4S/c1-17-9-7-11(19-3)10(18-2)6-8(9)14(16)12-4-5-13(15)20-12/h4-7,14,16H,1-3H3
InChIKeyPVTJVJVARQTWHZ-UHFFFAOYSA-N
MW359.24 g/mol
LogP3.62
Rot. Bonds5

About (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol

(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol (PubChem CID 61081754) has the molecular formula C14H15BrO4S and a molecular weight of 359.24 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol
PubChem CID61081754
Molecular FormulaC14H15BrO4S
Molecular Weight359.24 g/mol
Exact Mass357.99
IUPAC Name(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2ccc(Br)s2)cc1OC
InChIInChI=1S/C14H15BrO4S/c1-17-9-7-11(19-3)10(18-2)6-8(9)14(16)12-4-5-13(15)20-12/h4-7,14,16H,1-3H3
InChIKeyPVTJVJVARQTWHZ-UHFFFAOYSA-N
XLogP3.62
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol
CID 105056992
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 61104551
(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 61081568
(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol
CID 61082457
(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484547
(2-bromo-5-fluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 61081150
(5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61101677
(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine
CID 113296012
(5-bromothiophen-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102829132
(5-bromothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 79808941
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol
CID 63893838
(4-bromo-3-methoxyanilino)-(5-bromothiophen-2-yl)methanol
CID 167190299

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol (CID 61081754) is (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol is COc1cc(OC)c(C(O)c2ccc(Br)s2)cc1OC.
What is the InChIKey of (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol?
The InChIKey is PVTJVJVARQTWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO4S/c1-17-9-7-11(19-3)10(18-2)6-8(9)14(16)12-4-5-13(15)20-12/h4-7,14,16H,1-3H3.
What are the key properties of (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol?
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol has a molecular weight of 359.24 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 61081754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).