(4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol

C14H15BrO3S — CID 105057003

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol
SMILESCOc1cc(C(O)c2cscc2C)c(OC)cc1Br
InChIInChI=1S/C14H15BrO3S/c1-8-6-19-7-10(8)14(16)9-4-13(18-3)11(15)5-12(9)17-2/h4-7,14,16H,1-3H3
InChIKeyICYOUNSRLSMQJC-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.92
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol

(4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol (PubChem CID 105057003) has the molecular formula C14H15BrO3S and a molecular weight of 343.24 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol
PubChem CID105057003
Molecular FormulaC14H15BrO3S
Molecular Weight343.24 g/mol
Exact Mass341.99
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol
SMILESCOc1cc(C(O)c2cscc2C)c(OC)cc1Br
InChIInChI=1S/C14H15BrO3S/c1-8-6-19-7-10(8)14(16)9-4-13(18-3)11(15)5-12(9)17-2/h4-7,14,16H,1-3H3
InChIKeyICYOUNSRLSMQJC-UHFFFAOYSA-N
XLogP3.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol
CID 79808837
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983413
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol
CID 105056944
(2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol
CID 81474094
(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol
CID 105056992
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-2-methylphenyl)methanol
CID 107098959
(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 105057050
(4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol
CID 105057068
(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol
CID 105057027
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 105057119
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol (CID 105057003) is (4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol is COc1cc(C(O)c2cscc2C)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol?
The InChIKey is ICYOUNSRLSMQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO3S/c1-8-6-19-7-10(8)14(16)9-4-13(18-3)11(15)5-12(9)17-2/h4-7,14,16H,1-3H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol?
(4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol has a molecular weight of 343.24 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol is sourced from PubChem (CID 105057003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).