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

C16H15BrO — CID 175829642

IUPAC5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene
SMILESBrc1ccc2c(c1)CCC2OCc1ccccc1
InChIInChI=1S/C16H15BrO/c17-14-7-8-15-13(10-14)6-9-16(15)18-11-12-4-2-1-3-5-12/h1-5,7-8,10,16H,6,9,11H2
InChIKeyWFBCVIOCOVQGTF-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.65
Rot. Bonds3

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

5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene (PubChem CID 175829642) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene
PubChem CID175829642
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene
SMILESBrc1ccc2c(c1)CCC2OCc1ccccc1
InChIInChI=1S/C16H15BrO/c17-14-7-8-15-13(10-14)6-9-16(15)18-11-12-4-2-1-3-5-12/h1-5,7-8,10,16H,6,9,11H2
InChIKeyWFBCVIOCOVQGTF-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-phenylmethoxy-2,3-dihydro-1H-indene
CID 129278102
5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 47002601
benzyl (3S)-3-phenylmethoxy-2,3-dihydro-1H-indene-5-carboxylate
CID 90254651
ethane;2-phenylmethoxycyclobutan-1-one
CID 143382516
5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61401280
(2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
CID 104926175
benzyl 6-bromo-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 170648836
1-(2,3-dihydro-1H-inden-1-yloxymethoxy)-2,3-dihydro-1H-indene
CID 70037925
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 154803661
5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 116531102
5-bromo-1-deuterio-2,3-dihydroinden-1-amine
CID 172734129

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene?
The IUPAC name of 5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene (CID 175829642) is 5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene is Brc1ccc2c(c1)CCC2OCc1ccccc1.
What is the InChIKey of 5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene?
The InChIKey is WFBCVIOCOVQGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c17-14-7-8-15-13(10-14)6-9-16(15)18-11-12-4-2-1-3-5-12/h1-5,7-8,10,16H,6,9,11H2.
What are the key properties of 5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene?
5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene has a molecular weight of 303.20 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 175829642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).