(4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol

C14H12BrClO2S — CID 102830279

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H12BrClO2S/c15-11-7-12(19-14(11)16)13(17)8-1-3-9(4-2-8)18-10-5-6-10/h1-4,7,10,13,17H,5-6H2
InChIKeyQFQRYXSBDVKKRM-UHFFFAOYSA-N
MW359.67 g/mol
LogP4.79
Rot. Bonds4

About (4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol

(4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol (PubChem CID 102830279) has the molecular formula C14H12BrClO2S and a molecular weight of 359.67 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol
PubChem CID102830279
Molecular FormulaC14H12BrClO2S
Molecular Weight359.67 g/mol
Exact Mass357.94
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H12BrClO2S/c15-11-7-12(19-14(11)16)13(17)8-1-3-9(4-2-8)18-10-5-6-10/h1-4,7,10,13,17H,5-6H2
InChIKeyQFQRYXSBDVKKRM-UHFFFAOYSA-N
XLogP4.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.67
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol
CID 102829826
(4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102835178
(3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
CID 115838494
(2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
CID 114518704
(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol
CID 114518680
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
CID 115838406
(4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol
CID 102829986
(4-cyclopropyloxyphenyl)-(4-cyclopropylphenyl)methanol
CID 114518662
(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol
CID 114518537
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165549
(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
CID 102830128

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol (CID 102830279) is (4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol is OC(c1ccc(OC2CC2)cc1)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol?
The InChIKey is QFQRYXSBDVKKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO2S/c15-11-7-12(19-14(11)16)13(17)8-1-3-9(4-2-8)18-10-5-6-10/h1-4,7,10,13,17H,5-6H2.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol has a molecular weight of 359.67 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 102830279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).