(4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol

C14H12Br2OS — CID 80535588

IUPAC(4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol
SMILESOC(c1cc(Br)c(Br)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C14H12Br2OS/c15-10-8-11(18-13(10)16)12(17)14(6-7-14)9-4-2-1-3-5-9/h1-5,8,12,17H,6-7H2
InChIKeyMZJBJMGRTLFIGG-UHFFFAOYSA-N
MW388.12 g/mol
LogP5.04
Rot. Bonds3

About (4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol

(4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol (PubChem CID 80535588) has the molecular formula C14H12Br2OS and a molecular weight of 388.12 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol
PubChem CID80535588
Molecular FormulaC14H12Br2OS
Molecular Weight388.12 g/mol
Exact Mass385.90
IUPAC Name(4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol
SMILESOC(c1cc(Br)c(Br)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C14H12Br2OS/c15-10-8-11(18-13(10)16)12(17)14(6-7-14)9-4-2-1-3-5-9/h1-5,8,12,17H,6-7H2
InChIKeyMZJBJMGRTLFIGG-UHFFFAOYSA-N
XLogP5.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.12
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol (CID 80535588) is (4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol is OC(c1cc(Br)c(Br)s1)C1(c2ccccc2)CC1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol?
The InChIKey is MZJBJMGRTLFIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2OS/c15-10-8-11(18-13(10)16)12(17)14(6-7-14)9-4-2-1-3-5-9/h1-5,8,12,17H,6-7H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol?
(4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol has a molecular weight of 388.12 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(1-phenylcyclopropyl)methanol is sourced from PubChem (CID 80535588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).