1-bromo-2,3-dipropoxybenzene

C12H17BrO2 — CID 91157628

IUPAC1-bromo-2,3-dipropoxybenzene
SMILESCCCOc1cccc(Br)c1OCCC
InChIInChI=1S/C12H17BrO2/c1-3-8-14-11-7-5-6-10(13)12(11)15-9-4-2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyZTGPXVAUKCDXPR-UHFFFAOYSA-N
MW273.17 g/mol
LogP4.03
Rot. Bonds6

About 1-bromo-2,3-dipropoxybenzene

1-bromo-2,3-dipropoxybenzene (PubChem CID 91157628) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-bromo-2,3-dipropoxybenzene.

Molecular Properties

Compound Name1-bromo-2,3-dipropoxybenzene
PubChem CID91157628
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name1-bromo-2,3-dipropoxybenzene
SMILESCCCOc1cccc(Br)c1OCCC
InChIInChI=1S/C12H17BrO2/c1-3-8-14-11-7-5-6-10(13)12(11)15-9-4-2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyZTGPXVAUKCDXPR-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bromo-2,3-dipropoxybenzene 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-methyl-2-propoxybenzene
CID 58352154
1-bromo-2-chloro-3-propoxybenzene
CID 126752460
1,3-dibromo-2-hexoxybenzene
CID 101293505
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
1-bromo-3-butoxy-2-methylbenzene
CID 148580780
3-ethoxy-2-propoxyphenol
CID 174814735
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
1-[(2-bromophenyl)methyl]-4-propoxyindole
CID 83166128
3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
CID 83140817
1-(3-bromo-2-propoxyphenyl)butan-2-amine
CID 61392389
3-bromo-2-butoxybenzaldehyde
CID 61390829

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-dipropoxybenzene?
The IUPAC name of 1-bromo-2,3-dipropoxybenzene (CID 91157628) is 1-bromo-2,3-dipropoxybenzene.
What is the SMILES notation for 1-bromo-2,3-dipropoxybenzene?
The canonical SMILES for 1-bromo-2,3-dipropoxybenzene is CCCOc1cccc(Br)c1OCCC.
What is the InChIKey of 1-bromo-2,3-dipropoxybenzene?
The InChIKey is ZTGPXVAUKCDXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-3-8-14-11-7-5-6-10(13)12(11)15-9-4-2/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 1-bromo-2,3-dipropoxybenzene?
1-bromo-2,3-dipropoxybenzene has a molecular weight of 273.17 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-dipropoxybenzene is sourced from PubChem (CID 91157628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).