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

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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).