2-bromo-3-(4-methoxyphenyl)-1H-indene

C16H13BrO — CID 157190744

IUPAC2-bromo-3-(4-methoxyphenyl)-1H-indene
SMILESCOc1ccc(C2=C(Br)Cc3ccccc32)cc1
InChIInChI=1S/C16H13BrO/c1-18-13-8-6-11(7-9-13)16-14-5-3-2-4-12(14)10-15(16)17/h2-9H,10H2,1H3
InChIKeyRPMXNVOOEUZXQY-UHFFFAOYSA-N
MW301.18 g/mol
LogP4.41
Rot. Bonds2

About 2-bromo-3-(4-methoxyphenyl)-1H-indene

2-bromo-3-(4-methoxyphenyl)-1H-indene (PubChem CID 157190744) has the molecular formula C16H13BrO and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-bromo-3-(4-methoxyphenyl)-1H-indene.

Molecular Properties

Compound Name2-bromo-3-(4-methoxyphenyl)-1H-indene
PubChem CID157190744
Molecular FormulaC16H13BrO
Molecular Weight301.18 g/mol
Exact Mass300.01
IUPAC Name2-bromo-3-(4-methoxyphenyl)-1H-indene
SMILESCOc1ccc(C2=C(Br)Cc3ccccc32)cc1
InChIInChI=1S/C16H13BrO/c1-18-13-8-6-11(7-9-13)16-14-5-3-2-4-12(14)10-15(16)17/h2-9H,10H2,1H3
InChIKeyRPMXNVOOEUZXQY-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene
CID 160973980
3-fluoro-2-(4-methoxyphenyl)-1H-indene
CID 102296700
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
[2-(4-methoxyphenyl)-4H-indeno[1,2-b]thiophen-3-yl] acetate
CID 15078764
1-bromo-2-(4-methoxyphenyl)-3-phenyl-1H-indene
CID 162400233
N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine
CID 161479064
9-bromo-8-fluorotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
CID 132504685
4-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 147099645
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
2-tert-butyl-4-(4-methoxyphenyl)-1H-indene
CID 87961320
7-methoxy-10H-phenanthren-9-one
CID 135042116
1-(3,5-dimethoxyphenyl)-9H-fluorene
CID 152594732

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(4-methoxyphenyl)-1H-indene?
The IUPAC name of 2-bromo-3-(4-methoxyphenyl)-1H-indene (CID 157190744) is 2-bromo-3-(4-methoxyphenyl)-1H-indene.
What is the SMILES notation for 2-bromo-3-(4-methoxyphenyl)-1H-indene?
The canonical SMILES for 2-bromo-3-(4-methoxyphenyl)-1H-indene is COc1ccc(C2=C(Br)Cc3ccccc32)cc1.
What is the InChIKey of 2-bromo-3-(4-methoxyphenyl)-1H-indene?
The InChIKey is RPMXNVOOEUZXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO/c1-18-13-8-6-11(7-9-13)16-14-5-3-2-4-12(14)10-15(16)17/h2-9H,10H2,1H3.
What are the key properties of 2-bromo-3-(4-methoxyphenyl)-1H-indene?
2-bromo-3-(4-methoxyphenyl)-1H-indene has a molecular weight of 301.18 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(4-methoxyphenyl)-1H-indene is sourced from PubChem (CID 157190744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).