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

C14H12Br2O2S — CID 115838494

IUPAC(3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
SMILESOC(c1cccc(OC2CC2)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H12Br2O2S/c15-11-7-12(19-14(11)16)13(17)8-2-1-3-10(6-8)18-9-4-5-9/h1-3,6-7,9,13,17H,4-5H2
InChIKeyQHZXUGGUZQBVCZ-UHFFFAOYSA-N
MW404.12 g/mol
LogP4.90
Rot. Bonds4

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

(3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol (PubChem CID 115838494) has the molecular formula C14H12Br2O2S and a molecular weight of 404.12 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
PubChem CID115838494
Molecular FormulaC14H12Br2O2S
Molecular Weight404.12 g/mol
Exact Mass401.89
IUPAC Name(3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
SMILESOC(c1cccc(OC2CC2)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H12Br2O2S/c15-11-7-12(19-14(11)16)13(17)8-2-1-3-10(6-8)18-9-4-5-9/h1-3,6-7,9,13,17H,4-5H2
InChIKeyQHZXUGGUZQBVCZ-UHFFFAOYSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.12
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838478
(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol
CID 80535665
(5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol
CID 114520982
(2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838473
(4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol
CID 102830279
(2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 105131480
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
(5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol
CID 107124992
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992
(3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 114520812

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol?
The IUPAC name of (3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol (CID 115838494) is (3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol is OC(c1cccc(OC2CC2)c1)c1cc(Br)c(Br)s1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol?
The InChIKey is QHZXUGGUZQBVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O2S/c15-11-7-12(19-14(11)16)13(17)8-2-1-3-10(6-8)18-9-4-5-9/h1-3,6-7,9,13,17H,4-5H2.
What are the key properties of (3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol?
(3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol has a molecular weight of 404.12 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol is sourced from PubChem (CID 115838494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).