1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene

C16H15BrO2 — CID 175036733

IUPAC1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene
SMILESBrc1cccc(Oc2cccc(OCC3CC3)c2)c1
InChIInChI=1S/C16H15BrO2/c17-13-3-1-5-15(9-13)19-16-6-2-4-14(10-16)18-11-12-7-8-12/h1-6,9-10,12H,7-8,11H2
InChIKeyTZEKBQVVJGNHPX-UHFFFAOYSA-N
MW319.20 g/mol
LogP5.03
Rot. Bonds5

About 1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene

1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene (PubChem CID 175036733) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene
PubChem CID175036733
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene
SMILESBrc1cccc(Oc2cccc(OCC3CC3)c2)c1
InChIInChI=1S/C16H15BrO2/c17-13-3-1-5-15(9-13)19-16-6-2-4-14(10-16)18-11-12-7-8-12/h1-6,9-10,12H,7-8,11H2
InChIKeyTZEKBQVVJGNHPX-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.20
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596
3-[(3-bromophenoxy)methyl]pyrrolidine
CID 56830201
1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene
CID 66321596
3-bromo-6-(cyclopropylmethoxy)phenanthrene
CID 86614878
cyclopropylmethoxybenzene
CID 12712156
7-[(3-bromophenoxy)methyl]-1,4-dioxaspiro[4.5]decane
CID 126754267
2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole
CID 115104079
3-[(3-bromophenoxy)methyl]-1-(2,2,2-trifluoroethyl)piperidine
CID 165429268
4-[[3-(4-propan-2-ylphenoxy)phenoxy]methyl]oxane
CID 129035173
2-[(3-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104442
[3-(cyclopropylmethoxy)phenyl] 2-aminoacetate
CID 134226868
6-bromo-2-[3-(cyclopropylmethoxy)phenyl]-1,3-benzoxazole
CID 23025812

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene?
The IUPAC name of 1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene (CID 175036733) is 1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene.
What is the SMILES notation for 1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene?
The canonical SMILES for 1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene is Brc1cccc(Oc2cccc(OCC3CC3)c2)c1.
What is the InChIKey of 1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene?
The InChIKey is TZEKBQVVJGNHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c17-13-3-1-5-15(9-13)19-16-6-2-4-14(10-16)18-11-12-7-8-12/h1-6,9-10,12H,7-8,11H2.
What are the key properties of 1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene?
1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene has a molecular weight of 319.20 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene is sourced from PubChem (CID 175036733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).