9-(2-bromoethoxy)-9-phenylxanthene

C21H17BrO2 — CID 10407454

IUPAC9-(2-bromoethoxy)-9-phenylxanthene
SMILESBrCCOC1(c2ccccc2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H17BrO2/c22-14-15-23-21(16-8-2-1-3-9-16)17-10-4-6-12-19(17)24-20-13-7-5-11-18(20)21/h1-13H,14-15H2
InChIKeyJZYREMOVOHRPLF-UHFFFAOYSA-N
MW381.27 g/mol
LogP5.50
Rot. Bonds4

About 9-(2-bromoethoxy)-9-phenylxanthene

9-(2-bromoethoxy)-9-phenylxanthene (PubChem CID 10407454) has the molecular formula C21H17BrO2 and a molecular weight of 381.27 g/mol. Its IUPAC name is 9-(2-bromoethoxy)-9-phenylxanthene.

Molecular Properties

Compound Name9-(2-bromoethoxy)-9-phenylxanthene
PubChem CID10407454
Molecular FormulaC21H17BrO2
Molecular Weight381.27 g/mol
Exact Mass380.04
IUPAC Name9-(2-bromoethoxy)-9-phenylxanthene
SMILESBrCCOC1(c2ccccc2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H17BrO2/c22-14-15-23-21(16-8-2-1-3-9-16)17-10-4-6-12-19(17)24-20-13-7-5-11-18(20)21/h1-13H,14-15H2
InChIKeyJZYREMOVOHRPLF-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Xanthene
CID 7107
Xanthydrol
CID 72861
2-Biphenylyl phenyl ether
CID 81220
Flavan
CID 94156
1-(Benzyloxy)-2-(2-phenylethyl)benzene
CID 11973811
3-benzyl-3,4-dihydro-2H-chromene
CID 15331838
1,2-Bis(phenoxymethyl)benzene
CID 11162091
1-(Benzyloxy)-2-[2-(3-methoxyphenyl)ethyl]benzene
CID 11973927
Isoflavan
CID 500472
9-Phenylxanthen-9-ol
CID 68997
4-Hydroxyflavan
CID 253959
1-Methoxy-6-phenyl-6H-benzo[c]chromene
CID 44305900

Frequently Asked Questions

What is the IUPAC name of 9-(2-bromoethoxy)-9-phenylxanthene?
The IUPAC name of 9-(2-bromoethoxy)-9-phenylxanthene (CID 10407454) is 9-(2-bromoethoxy)-9-phenylxanthene.
What is the SMILES notation for 9-(2-bromoethoxy)-9-phenylxanthene?
The canonical SMILES for 9-(2-bromoethoxy)-9-phenylxanthene is BrCCOC1(c2ccccc2)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-(2-bromoethoxy)-9-phenylxanthene?
The InChIKey is JZYREMOVOHRPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrO2/c22-14-15-23-21(16-8-2-1-3-9-16)17-10-4-6-12-19(17)24-20-13-7-5-11-18(20)21/h1-13H,14-15H2.
What are the key properties of 9-(2-bromoethoxy)-9-phenylxanthene?
9-(2-bromoethoxy)-9-phenylxanthene has a molecular weight of 381.27 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromoethoxy)-9-phenylxanthene is sourced from PubChem (CID 10407454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).