(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol

C13H13BrO2S — CID 61082457

IUPAC(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Br)s2)cc1C
InChIInChI=1S/C13H13BrO2S/c1-8-7-9(3-4-10(8)16-2)13(15)11-5-6-12(14)17-11/h3-7,13,15H,1-2H3
InChIKeyDKCYIDPBVJBHRX-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.91
Rot. Bonds3

About (5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol

(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol (PubChem CID 61082457) has the molecular formula C13H13BrO2S and a molecular weight of 313.22 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol
PubChem CID61082457
Molecular FormulaC13H13BrO2S
Molecular Weight313.22 g/mol
Exact Mass311.98
IUPAC Name(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Br)s2)cc1C
InChIInChI=1S/C13H13BrO2S/c1-8-7-9(3-4-10(8)16-2)13(15)11-5-6-12(14)17-11/h3-7,13,15H,1-2H3
InChIKeyDKCYIDPBVJBHRX-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanol
CID 107964214
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 61081754
(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 61081568
(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol
CID 105056992
(4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782078
(5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol
CID 61086892
(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100007
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
(4-tert-butylphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080698
(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082254
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-3-methylphenyl)methanol
CID 81261763

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol (CID 61082457) is (5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol is COc1ccc(C(O)c2ccc(Br)s2)cc1C.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol?
The InChIKey is DKCYIDPBVJBHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2S/c1-8-7-9(3-4-10(8)16-2)13(15)11-5-6-12(14)17-11/h3-7,13,15H,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol?
(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol has a molecular weight of 313.22 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol is sourced from PubChem (CID 61082457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).