5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene

C16H15BrO — CID 129278102

IUPAC5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene
SMILESBrc1ccc2c(c1)CC(OCc1ccccc1)C2
InChIInChI=1S/C16H15BrO/c17-15-7-6-13-9-16(10-14(13)8-15)18-11-12-4-2-1-3-5-12/h1-8,16H,9-11H2
InChIKeyTWNJZPKMNBNRSN-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.13
Rot. Bonds3

About 5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene

5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene (PubChem CID 129278102) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene
PubChem CID129278102
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene
SMILESBrc1ccc2c(c1)CC(OCc1ccccc1)C2
InChIInChI=1S/C16H15BrO/c17-15-7-6-13-9-16(10-14(13)8-15)18-11-12-4-2-1-3-5-12/h1-8,16H,9-11H2
InChIKeyTWNJZPKMNBNRSN-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene 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

5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene
CID 175829642
3-[(3-bromophenyl)methoxy]cyclobutan-1-one
CID 82826300
5-bromo-2-[(3-phenylmethoxycyclobutyl)methyl]-3H-isoindol-1-one
CID 23158319
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
5-bromo-2-[2-[2-[(5-bromo-2,3-dihydro-1H-inden-2-yl)oxy]ethoxy]ethoxymethyl]pyridine
CID 129301985
azane;cyclopentyloxymethylbenzene
CID 69411306
bromozinc(1+);cyclobutyloxymethylbenzene
CID 172994803
4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol
CID 169291963
[(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 175065005
6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 162045632
5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
(5R,6aR)-3-bromo-5-phenylmethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[d][1,2]oxazole
CID 123759738

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene?
The IUPAC name of 5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene (CID 129278102) is 5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene is Brc1ccc2c(c1)CC(OCc1ccccc1)C2.
What is the InChIKey of 5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene?
The InChIKey is TWNJZPKMNBNRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c17-15-7-6-13-9-16(10-14(13)8-15)18-11-12-4-2-1-3-5-12/h1-8,16H,9-11H2.
What are the key properties of 5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene?
5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene has a molecular weight of 303.20 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 129278102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).