(5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol

C13H13BrO3S — CID 81118645

IUPAC(5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2cc(Br)ccc2OC)c1
InChIInChI=1S/C13H13BrO3S/c1-16-9-6-12(18-7-9)13(15)10-5-8(14)3-4-11(10)17-2/h3-7,13,15H,1-2H3
InChIKeyHDGRUYPDYUVESE-UHFFFAOYSA-N
MW329.22 g/mol
LogP3.61
Rot. Bonds4

About (5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol

(5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol (PubChem CID 81118645) has the molecular formula C13H13BrO3S and a molecular weight of 329.22 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
PubChem CID81118645
Molecular FormulaC13H13BrO3S
Molecular Weight329.22 g/mol
Exact Mass327.98
IUPAC Name(5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2cc(Br)ccc2OC)c1
InChIInChI=1S/C13H13BrO3S/c1-16-9-6-12(18-7-9)13(15)10-5-8(14)3-4-11(10)17-2/h3-7,13,15H,1-2H3
InChIKeyHDGRUYPDYUVESE-UHFFFAOYSA-N
XLogP3.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115828533
(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436
(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81123973
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
(2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115794422
(4-methoxythiophen-2-yl)-quinolin-5-ylmethanol
CID 115826281
(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115821638
(4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol
CID 115369724
(5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol
CID 63893821
(4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol
CID 81123747
1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol (CID 81118645) is (5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol is COc1csc(C(O)c2cc(Br)ccc2OC)c1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol?
The InChIKey is HDGRUYPDYUVESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO3S/c1-16-9-6-12(18-7-9)13(15)10-5-8(14)3-4-11(10)17-2/h3-7,13,15H,1-2H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol?
(5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol has a molecular weight of 329.22 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol is sourced from PubChem (CID 81118645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).