1-bromo-3-(cyclopropylmethoxy)benzene

C10H11BrO — CID 15727633

IUPAC1-bromo-3-(cyclopropylmethoxy)benzene
SMILESBrc1cccc(OCC2CC2)c1
InChIInChI=1S/C10H11BrO/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8H,4-5,7H2
InChIKeyQYVPRMAOEXVFHH-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.24
Rot. Bonds3

About 1-bromo-3-(cyclopropylmethoxy)benzene

1-bromo-3-(cyclopropylmethoxy)benzene (PubChem CID 15727633) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 1-bromo-3-(cyclopropylmethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(cyclopropylmethoxy)benzene
PubChem CID15727633
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name1-bromo-3-(cyclopropylmethoxy)benzene
SMILESBrc1cccc(OCC2CC2)c1
InChIInChI=1S/C10H11BrO/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8H,4-5,7H2
InChIKeyQYVPRMAOEXVFHH-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(cyclopropylmethoxy)benzene?
The IUPAC name of 1-bromo-3-(cyclopropylmethoxy)benzene (CID 15727633) is 1-bromo-3-(cyclopropylmethoxy)benzene.
What is the SMILES notation for 1-bromo-3-(cyclopropylmethoxy)benzene?
The canonical SMILES for 1-bromo-3-(cyclopropylmethoxy)benzene is Brc1cccc(OCC2CC2)c1.
What is the InChIKey of 1-bromo-3-(cyclopropylmethoxy)benzene?
The InChIKey is QYVPRMAOEXVFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8H,4-5,7H2.
What are the key properties of 1-bromo-3-(cyclopropylmethoxy)benzene?
1-bromo-3-(cyclopropylmethoxy)benzene has a molecular weight of 227.10 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(cyclopropylmethoxy)benzene is sourced from PubChem (CID 15727633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).