(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol

C14H15BrO2S — CID 61100007

IUPAC(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2ccc(OC)c(Br)c2)s1
InChIInChI=1S/C14H15BrO2S/c1-3-10-5-7-13(18-10)14(16)9-4-6-12(17-2)11(15)8-9/h4-8,14,16H,3H2,1-2H3
InChIKeyWCAJYIFQBCKNBB-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.16
Rot. Bonds4

About (3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol

(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol (PubChem CID 61100007) has the molecular formula C14H15BrO2S and a molecular weight of 327.24 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
PubChem CID61100007
Molecular FormulaC14H15BrO2S
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2ccc(OC)c(Br)c2)s1
InChIInChI=1S/C14H15BrO2S/c1-3-10-5-7-13(18-10)14(16)9-4-6-12(17-2)11(15)8-9/h4-8,14,16H,3H2,1-2H3
InChIKeyWCAJYIFQBCKNBB-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
CID 63435339
(3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100003
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63893813
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115818040
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261
(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol
CID 61082457
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol
CID 104661241
2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
CID 66608233
2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol
CID 61099140
1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol
CID 63019737

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol (CID 61100007) is (3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol is CCc1ccc(C(O)c2ccc(OC)c(Br)c2)s1.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol?
The InChIKey is WCAJYIFQBCKNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2S/c1-3-10-5-7-13(18-10)14(16)9-4-6-12(17-2)11(15)8-9/h4-8,14,16H,3H2,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol?
(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol has a molecular weight of 327.24 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 61100007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).