(2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol

C14H14Br2O2S — CID 107969859

IUPAC(2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2cc(Br)sc2Br)cc1C
InChIInChI=1S/C14H14Br2O2S/c1-7-5-11(18-3)8(2)4-9(7)13(17)10-6-12(15)19-14(10)16/h4-6,13,17H,1-3H3
InChIKeyIOFVAIYYSSZHSV-UHFFFAOYSA-N
MW406.14 g/mol
LogP4.98
Rot. Bonds3

About (2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol

(2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol (PubChem CID 107969859) has the molecular formula C14H14Br2O2S and a molecular weight of 406.14 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
PubChem CID107969859
Molecular FormulaC14H14Br2O2S
Molecular Weight406.14 g/mol
Exact Mass403.91
IUPAC Name(2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2cc(Br)sc2Br)cc1C
InChIInChI=1S/C14H14Br2O2S/c1-7-5-11(18-3)8(2)4-9(7)13(17)10-6-12(15)19-14(10)16/h4-6,13,17H,1-3H3
InChIKeyIOFVAIYYSSZHSV-UHFFFAOYSA-N
XLogP4.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.14
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-3-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]thiophene
CID 107964738
(2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol
CID 107964358
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol
CID 114022284
(2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 113400075
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
(5-chlorothiophen-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 113370055
(3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 105124256
2,5-dibromo-3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]thiophene
CID 107964666
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
CID 20549048
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol (CID 107969859) is (2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol is COc1cc(C)c(C(O)c2cc(Br)sc2Br)cc1C.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol?
The InChIKey is IOFVAIYYSSZHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2O2S/c1-7-5-11(18-3)8(2)4-9(7)13(17)10-6-12(15)19-14(10)16/h4-6,13,17H,1-3H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol?
(2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol has a molecular weight of 406.14 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol is sourced from PubChem (CID 107969859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).