(5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol

C14H15BrO2S — CID 61086892

IUPAC(5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccc(C(O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H15BrO2S/c1-9(2)17-11-5-3-10(4-6-11)14(16)12-7-8-13(15)18-12/h3-9,14,16H,1-2H3
InChIKeyWZBOZANFZUBJAJ-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.38
Rot. Bonds4

About (5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol

(5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol (PubChem CID 61086892) has the molecular formula C14H15BrO2S and a molecular weight of 327.24 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol
PubChem CID61086892
Molecular FormulaC14H15BrO2S
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name(5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccc(C(O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H15BrO2S/c1-9(2)17-11-5-3-10(4-6-11)14(16)12-7-8-13(15)18-12/h3-9,14,16H,1-2H3
InChIKeyWZBOZANFZUBJAJ-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene
CID 63432334
(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol
CID 61082457
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol
CID 107947461
(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 61081568
(3,4-dimethylphenyl)-(4-propan-2-yloxyphenyl)methanol
CID 61086884
(S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
CID 40535084
(5-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol
CID 63750186
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 61081754
(5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79691471
1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 61081527
1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol
CID 130146184
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol
CID 61089121

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol (CID 61086892) is (5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol is CC(C)Oc1ccc(C(O)c2ccc(Br)s2)cc1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol?
The InChIKey is WZBOZANFZUBJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2S/c1-9(2)17-11-5-3-10(4-6-11)14(16)12-7-8-13(15)18-12/h3-9,14,16H,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol?
(5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol has a molecular weight of 327.24 g/mol, XLogP of 4.38, 4 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-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 61086892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).