5-bromo-1-chloro-2-ethoxy-3-propoxybenzene

C11H14BrClO2 — CID 125116272

IUPAC5-bromo-1-chloro-2-ethoxy-3-propoxybenzene
SMILESCCCOc1cc(Br)cc(Cl)c1OCC
InChIInChI=1S/C11H14BrClO2/c1-3-5-15-10-7-8(12)6-9(13)11(10)14-4-2/h6-7H,3-5H2,1-2H3
InChIKeyLXGMUYWTZHDKME-UHFFFAOYSA-N
MW293.59 g/mol
LogP4.29
Rot. Bonds5

About 5-bromo-1-chloro-2-ethoxy-3-propoxybenzene

5-bromo-1-chloro-2-ethoxy-3-propoxybenzene (PubChem CID 125116272) has the molecular formula C11H14BrClO2 and a molecular weight of 293.59 g/mol. Its IUPAC name is 5-bromo-1-chloro-2-ethoxy-3-propoxybenzene.

Molecular Properties

Compound Name5-bromo-1-chloro-2-ethoxy-3-propoxybenzene
PubChem CID125116272
Molecular FormulaC11H14BrClO2
Molecular Weight293.59 g/mol
Exact Mass291.99
IUPAC Name5-bromo-1-chloro-2-ethoxy-3-propoxybenzene
SMILESCCCOc1cc(Br)cc(Cl)c1OCC
InChIInChI=1S/C11H14BrClO2/c1-3-5-15-10-7-8(12)6-9(13)11(10)14-4-2/h6-7H,3-5H2,1-2H3
InChIKeyLXGMUYWTZHDKME-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-1-chloro-2-ethoxy-3-propoxybenzene 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

1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
5-bromo-1-butoxy-3-chloro-2-fluorobenzene
CID 125116125
(3-chloro-5-ethoxy-4-propoxyphenyl)boronic acid
CID 74889354
5-bromo-3-chloro-2-propoxybenzonitrile;ethane
CID 166090943
3-chloro-4,5-diethoxyaniline
CID 13335752
5-bromo-1-chloro-2-ethoxy-3-nitrobenzene
CID 70699765
4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine
CID 83952634
5,11,17,23-tetrabromo-25,26,27,28-tetrapropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 11309135
4-bromo-1-chloro-2-(2-propoxyethoxy)benzene
CID 106452990
1,2,3,4,5-pentapropoxybenzene
CID 91365553
5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene
CID 148761209
5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene
CID 156514394

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-chloro-2-ethoxy-3-propoxybenzene?
The IUPAC name of 5-bromo-1-chloro-2-ethoxy-3-propoxybenzene (CID 125116272) is 5-bromo-1-chloro-2-ethoxy-3-propoxybenzene.
What is the SMILES notation for 5-bromo-1-chloro-2-ethoxy-3-propoxybenzene?
The canonical SMILES for 5-bromo-1-chloro-2-ethoxy-3-propoxybenzene is CCCOc1cc(Br)cc(Cl)c1OCC.
What is the InChIKey of 5-bromo-1-chloro-2-ethoxy-3-propoxybenzene?
The InChIKey is LXGMUYWTZHDKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO2/c1-3-5-15-10-7-8(12)6-9(13)11(10)14-4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-bromo-1-chloro-2-ethoxy-3-propoxybenzene?
5-bromo-1-chloro-2-ethoxy-3-propoxybenzene has a molecular weight of 293.59 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-chloro-2-ethoxy-3-propoxybenzene is sourced from PubChem (CID 125116272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).