(3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol

C14H14BrClO2S — CID 104661241

IUPAC(3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol
SMILESCCCOc1ccc(C(O)c2ccc(Cl)s2)cc1Br
InChIInChI=1S/C14H14BrClO2S/c1-2-7-18-11-4-3-9(8-10(11)15)14(17)12-5-6-13(16)19-12/h3-6,8,14,17H,2,7H2,1H3
InChIKeyXJBUORSVZVDQGY-UHFFFAOYSA-N
MW361.69 g/mol
LogP5.03
Rot. Bonds5

About (3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol

(3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol (PubChem CID 104661241) has the molecular formula C14H14BrClO2S and a molecular weight of 361.69 g/mol. Its IUPAC name is (3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol
PubChem CID104661241
Molecular FormulaC14H14BrClO2S
Molecular Weight361.69 g/mol
Exact Mass359.96
IUPAC Name(3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol
SMILESCCCOc1ccc(C(O)c2ccc(Cl)s2)cc1Br
InChIInChI=1S/C14H14BrClO2S/c1-2-7-18-11-4-3-9(8-10(11)15)14(17)12-5-6-13(16)19-12/h3-6,8,14,17H,2,7H2,1H3
InChIKeyXJBUORSVZVDQGY-UHFFFAOYSA-N
XLogP5.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.69
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 107991347
(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol
CID 104661171
(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol
CID 104661270
(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
CID 104661170
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 104661288
2-bromo-5-[(3-bromo-4-propoxyphenyl)-chloromethyl]thiophene
CID 104661972
1-(3-bromo-4-ethoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 104657513
N-[(3-bromo-4-ethoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 104657731
2-[bromo-(3-bromo-4-propoxyphenyl)methyl]-5-methylthiophene
CID 104662068
(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100007
2-bromo-4-[bromo-(4-chloro-3-methylphenyl)methyl]-1-propoxybenzene
CID 104662090
2-bromo-4-[(4-bromo-2-chlorophenyl)-chloromethyl]-1-propoxybenzene
CID 104662005

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol?
The IUPAC name of (3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol (CID 104661241) is (3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol?
The canonical SMILES for (3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol is CCCOc1ccc(C(O)c2ccc(Cl)s2)cc1Br.
What is the InChIKey of (3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol?
The InChIKey is XJBUORSVZVDQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClO2S/c1-2-7-18-11-4-3-9(8-10(11)15)14(17)12-5-6-13(16)19-12/h3-6,8,14,17H,2,7H2,1H3.
What are the key properties of (3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol?
(3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol has a molecular weight of 361.69 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 104661241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).