6-bromo-2-phenylmethoxy-2H-chromene

C16H13BrO2 — CID 101066659

IUPAC6-bromo-2-phenylmethoxy-2H-chromene
SMILESBrc1ccc2c(c1)C=CC(OCc1ccccc1)O2
InChIInChI=1S/C16H13BrO2/c17-14-7-8-15-13(10-14)6-9-16(19-15)18-11-12-4-2-1-3-5-12/h1-10,16H,11H2
InChIKeyDUFSCYLMHWDAIG-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.40
Rot. Bonds3

About 6-bromo-2-phenylmethoxy-2H-chromene

6-bromo-2-phenylmethoxy-2H-chromene (PubChem CID 101066659) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 6-bromo-2-phenylmethoxy-2H-chromene.

Molecular Properties

Compound Name6-bromo-2-phenylmethoxy-2H-chromene
PubChem CID101066659
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Name6-bromo-2-phenylmethoxy-2H-chromene
SMILESBrc1ccc2c(c1)C=CC(OCc1ccccc1)O2
InChIInChI=1S/C16H13BrO2/c17-14-7-8-15-13(10-14)6-9-16(19-15)18-11-12-4-2-1-3-5-12/h1-10,16H,11H2
InChIKeyDUFSCYLMHWDAIG-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenylmethoxy-2H-chromene?
The IUPAC name of 6-bromo-2-phenylmethoxy-2H-chromene (CID 101066659) is 6-bromo-2-phenylmethoxy-2H-chromene.
What is the SMILES notation for 6-bromo-2-phenylmethoxy-2H-chromene?
The canonical SMILES for 6-bromo-2-phenylmethoxy-2H-chromene is Brc1ccc2c(c1)C=CC(OCc1ccccc1)O2.
What is the InChIKey of 6-bromo-2-phenylmethoxy-2H-chromene?
The InChIKey is DUFSCYLMHWDAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO2/c17-14-7-8-15-13(10-14)6-9-16(19-15)18-11-12-4-2-1-3-5-12/h1-10,16H,11H2.
What are the key properties of 6-bromo-2-phenylmethoxy-2H-chromene?
6-bromo-2-phenylmethoxy-2H-chromene has a molecular weight of 317.18 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenylmethoxy-2H-chromene is sourced from PubChem (CID 101066659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).