1-bromo-3-(cyclopropylmethoxy)benzene;ethane

C14H23BrO — CID 142361596

IUPAC1-bromo-3-(cyclopropylmethoxy)benzene;ethane
SMILESBrc1cccc(OCC2CC2)c1.CC.CC
InChIInChI=1S/C10H11BrO.2C2H6/c11-9-2-1-3-10(6-9)12-7-8-4-5-8;2*1-2/h1-3,6,8H,4-5,7H2;2*1-2H3
InChIKeyNYECTZAIYWJJIR-UHFFFAOYSA-N
MW287.24 g/mol
LogP5.29
Rot. Bonds3

About 1-bromo-3-(cyclopropylmethoxy)benzene;ethane

1-bromo-3-(cyclopropylmethoxy)benzene;ethane (PubChem CID 142361596) has the molecular formula C14H23BrO and a molecular weight of 287.24 g/mol. Its IUPAC name is 1-bromo-3-(cyclopropylmethoxy)benzene;ethane.

Molecular Properties

Compound Name1-bromo-3-(cyclopropylmethoxy)benzene;ethane
PubChem CID142361596
Molecular FormulaC14H23BrO
Molecular Weight287.24 g/mol
Exact Mass286.09
IUPAC Name1-bromo-3-(cyclopropylmethoxy)benzene;ethane
SMILESBrc1cccc(OCC2CC2)c1.CC.CC
InChIInChI=1S/C10H11BrO.2C2H6/c11-9-2-1-3-10(6-9)12-7-8-4-5-8;2*1-2/h1-3,6,8H,4-5,7H2;2*1-2H3
InChIKeyNYECTZAIYWJJIR-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.24
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene
CID 175036733
3-[(3-bromophenoxy)methyl]pyrrolidine
CID 56830201
1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene
CID 66321596
1-bromo-3-ethoxybenzene;ethane
CID 143900364
3-bromo-6-(cyclopropylmethoxy)phenanthrene
CID 86614878
cyclopropylmethoxybenzene
CID 12712156
7-[(3-bromophenoxy)methyl]-1,4-dioxaspiro[4.5]decane
CID 126754267
2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 84674408
2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole
CID 115104079
3-[(3-bromophenoxy)methyl]-1-(2,2,2-trifluoroethyl)piperidine
CID 165429268
2-[(3-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104442
(2R)-2-[3-(cyclopropylmethoxy)phenyl]propan-1-amine
CID 143948375

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(cyclopropylmethoxy)benzene;ethane?
The IUPAC name of 1-bromo-3-(cyclopropylmethoxy)benzene;ethane (CID 142361596) is 1-bromo-3-(cyclopropylmethoxy)benzene;ethane.
What is the SMILES notation for 1-bromo-3-(cyclopropylmethoxy)benzene;ethane?
The canonical SMILES for 1-bromo-3-(cyclopropylmethoxy)benzene;ethane is Brc1cccc(OCC2CC2)c1.CC.CC.
What is the InChIKey of 1-bromo-3-(cyclopropylmethoxy)benzene;ethane?
The InChIKey is NYECTZAIYWJJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO.2C2H6/c11-9-2-1-3-10(6-9)12-7-8-4-5-8;2*1-2/h1-3,6,8H,4-5,7H2;2*1-2H3.
What are the key properties of 1-bromo-3-(cyclopropylmethoxy)benzene;ethane?
1-bromo-3-(cyclopropylmethoxy)benzene;ethane has a molecular weight of 287.24 g/mol, XLogP of 5.29, 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;ethane is sourced from PubChem (CID 142361596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).