(2,5-dibromophenyl)-(1-methylcyclopropyl)methanol

C11H12Br2O — CID 130553423

IUPAC(2,5-dibromophenyl)-(1-methylcyclopropyl)methanol
SMILESCC1(C(O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C11H12Br2O/c1-11(4-5-11)10(14)8-6-7(12)2-3-9(8)13/h2-3,6,10,14H,4-5H2,1H3
InChIKeyARZSOCAJYPBPGV-UHFFFAOYSA-N
MW320.02 g/mol
LogP4.05
Rot. Bonds2

About (2,5-dibromophenyl)-(1-methylcyclopropyl)methanol

(2,5-dibromophenyl)-(1-methylcyclopropyl)methanol (PubChem CID 130553423) has the molecular formula C11H12Br2O and a molecular weight of 320.02 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(1-methylcyclopropyl)methanol.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(1-methylcyclopropyl)methanol
PubChem CID130553423
Molecular FormulaC11H12Br2O
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name(2,5-dibromophenyl)-(1-methylcyclopropyl)methanol
SMILESCC1(C(O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C11H12Br2O/c1-11(4-5-11)10(14)8-6-7(12)2-3-9(8)13/h2-3,6,10,14H,4-5H2,1H3
InChIKeyARZSOCAJYPBPGV-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(1-methylcyclopropyl)methanol?
The IUPAC name of (2,5-dibromophenyl)-(1-methylcyclopropyl)methanol (CID 130553423) is (2,5-dibromophenyl)-(1-methylcyclopropyl)methanol.
What is the SMILES notation for (2,5-dibromophenyl)-(1-methylcyclopropyl)methanol?
The canonical SMILES for (2,5-dibromophenyl)-(1-methylcyclopropyl)methanol is CC1(C(O)c2cc(Br)ccc2Br)CC1.
What is the InChIKey of (2,5-dibromophenyl)-(1-methylcyclopropyl)methanol?
The InChIKey is ARZSOCAJYPBPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O/c1-11(4-5-11)10(14)8-6-7(12)2-3-9(8)13/h2-3,6,10,14H,4-5H2,1H3.
What are the key properties of (2,5-dibromophenyl)-(1-methylcyclopropyl)methanol?
(2,5-dibromophenyl)-(1-methylcyclopropyl)methanol has a molecular weight of 320.02 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(1-methylcyclopropyl)methanol is sourced from PubChem (CID 130553423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).