(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol

C14H14Br2O2S — CID 80535665

IUPAC(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol
SMILESCCCOc1cccc(C(O)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C14H14Br2O2S/c1-2-6-18-10-5-3-4-9(7-10)13(17)12-8-11(15)14(16)19-12/h3-5,7-8,13,17H,2,6H2,1H3
InChIKeyBCRCPYKTIBQNLZ-UHFFFAOYSA-N
MW406.14 g/mol
LogP5.14
Rot. Bonds5

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

(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol (PubChem CID 80535665) has the molecular formula C14H14Br2O2S and a molecular weight of 406.14 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol
PubChem CID80535665
Molecular FormulaC14H14Br2O2S
Molecular Weight406.14 g/mol
Exact Mass403.91
IUPAC Name(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol
SMILESCCCOc1cccc(C(O)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C14H14Br2O2S/c1-2-6-18-10-5-3-4-9(7-10)13(17)12-8-11(15)14(16)19-12/h3-5,7-8,13,17H,2,6H2,1H3
InChIKeyBCRCPYKTIBQNLZ-UHFFFAOYSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.14
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
CID 79991363
(3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
CID 115838494
(2,5-dibromophenyl)-(3-propoxyphenyl)methanol
CID 63425956
(3-propoxyphenyl)-(4-propylphenyl)methanol
CID 62919013
(4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
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(4,5-dibromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 80533947
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol
CID 80537952
(3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
CID 55132743
2-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 66039535
(4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol
CID 115482630
(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894023
(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol (CID 80535665) is (4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol is CCCOc1cccc(C(O)c2cc(Br)c(Br)s2)c1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol?
The InChIKey is BCRCPYKTIBQNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2O2S/c1-2-6-18-10-5-3-4-9(7-10)13(17)12-8-11(15)14(16)19-12/h3-5,7-8,13,17H,2,6H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol?
(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol has a molecular weight of 406.14 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol is sourced from PubChem (CID 80535665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).