7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene

C13H16BrClO — CID 79838057

IUPAC7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene
SMILESCCOc1ccc(Br)c2c1C(C)(C)CC2Cl
InChIInChI=1S/C13H16BrClO/c1-4-16-10-6-5-8(14)11-9(15)7-13(2,3)12(10)11/h5-6,9H,4,7H2,1-3H3
InChIKeyDRCSZYVZWXKHOJ-UHFFFAOYSA-N
MW303.63 g/mol
LogP4.81
Rot. Bonds2

About 7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene

7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene (PubChem CID 79838057) has the molecular formula C13H16BrClO and a molecular weight of 303.63 g/mol. Its IUPAC name is 7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene
PubChem CID79838057
Molecular FormulaC13H16BrClO
Molecular Weight303.63 g/mol
Exact Mass302.01
IUPAC Name7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene
SMILESCCOc1ccc(Br)c2c1C(C)(C)CC2Cl
InChIInChI=1S/C13H16BrClO/c1-4-16-10-6-5-8(14)11-9(15)7-13(2,3)12(10)11/h5-6,9H,4,7H2,1-3H3
InChIKeyDRCSZYVZWXKHOJ-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene 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

7-bromo-4-ethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine
CID 79837930
4,7-dibromo-1-chloro-3,3-dimethyl-1,2-dihydroindene
CID 79837589
6-bromo-5-chloro-9-ethoxy-1,2,4,5-tetrahydro-3-benzoxepine
CID 62735459
(1S)-4-bromo-6,7-diethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837856
1-bromo-2-chloro-4-ethoxy-3-methylbenzene
CID 146035250
(1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417812
8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417517
4-bromo-1-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737842
2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole
CID 141333473
6-bromo-2-chloro-3-ethoxyaniline
CID 118418845
1-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroindene
CID 79837496
(3S,5R)-N-[(3-bromo-4-ethoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine
CID 41495393

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene?
The IUPAC name of 7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene (CID 79838057) is 7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene.
What is the SMILES notation for 7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene?
The canonical SMILES for 7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene is CCOc1ccc(Br)c2c1C(C)(C)CC2Cl.
What is the InChIKey of 7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene?
The InChIKey is DRCSZYVZWXKHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClO/c1-4-16-10-6-5-8(14)11-9(15)7-13(2,3)12(10)11/h5-6,9H,4,7H2,1-3H3.
What are the key properties of 7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene?
7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene has a molecular weight of 303.63 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-chloro-4-ethoxy-3,3-dimethyl-1,2-dihydroindene is sourced from PubChem (CID 79838057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).