6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene

C17H17BrO2 — CID 69160150

IUPAC6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene
SMILESCOc1cc(OC)cc(-c2cc(Br)cc3c2CCC3)c1
InChIInChI=1S/C17H17BrO2/c1-19-14-7-12(8-15(10-14)20-2)17-9-13(18)6-11-4-3-5-16(11)17/h6-10H,3-5H2,1-2H3
InChIKeyWIVZRNYDRDYRSM-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.62
Rot. Bonds3

About 6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene

6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene (PubChem CID 69160150) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene
PubChem CID69160150
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene
SMILESCOc1cc(OC)cc(-c2cc(Br)cc3c2CCC3)c1
InChIInChI=1S/C17H17BrO2/c1-19-14-7-12(8-15(10-14)20-2)17-9-13(18)6-11-4-3-5-16(11)17/h6-10H,3-5H2,1-2H3
InChIKeyWIVZRNYDRDYRSM-UHFFFAOYSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-6-(2-fluoro-5-methoxyphenyl)-2,3-dihydro-1H-indene
CID 135189413
5-(6-bromo-2,3-dihydro-1H-inden-4-yl)-1H-pyrazol-3-amine
CID 117445640
4-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 147099645
1-(4-bromo-2-methoxyphenyl)-3,5-dimethoxybenzene
CID 163198275
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol
CID 102526280
1-(cyclopenten-1-yl)-3,5-dimethoxybenzene
CID 13172785
methyl 2-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-hydroxyacetate
CID 117458807
5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene
CID 171477304
2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol
CID 101048600
1,3-dimethoxy-5-(2-methylphenyl)benzene
CID 86038743
1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine
CID 117388145

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene?
The IUPAC name of 6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene (CID 69160150) is 6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene is COc1cc(OC)cc(-c2cc(Br)cc3c2CCC3)c1.
What is the InChIKey of 6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene?
The InChIKey is WIVZRNYDRDYRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-19-14-7-12(8-15(10-14)20-2)17-9-13(18)6-11-4-3-5-16(11)17/h6-10H,3-5H2,1-2H3.
What are the key properties of 6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene?
6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene has a molecular weight of 333.23 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 69160150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).