[2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone

C19H19BrO3 — CID 69261050

IUPAC[2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(OC3CCOC3)cc2Br)cc1
InChIInChI=1S/C19H19BrO3/c1-2-13-3-5-14(6-4-13)19(21)17-8-7-15(11-18(17)20)23-16-9-10-22-12-16/h3-8,11,16H,2,9-10,12H2,1H3
InChIKeyPMPNLUCOXHRQRP-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.41
Rot. Bonds5

About [2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone

[2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone (PubChem CID 69261050) has the molecular formula C19H19BrO3 and a molecular weight of 375.26 g/mol. Its IUPAC name is [2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone
PubChem CID69261050
Molecular FormulaC19H19BrO3
Molecular Weight375.26 g/mol
Exact Mass374.05
IUPAC Name[2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(OC3CCOC3)cc2Br)cc1
InChIInChI=1S/C19H19BrO3/c1-2-13-3-5-14(6-4-13)19(21)17-8-7-15(11-18(17)20)23-16-9-10-22-12-16/h3-8,11,16H,2,9-10,12H2,1H3
InChIKeyPMPNLUCOXHRQRP-UHFFFAOYSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone?
The IUPAC name of [2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone (CID 69261050) is [2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone?
The canonical SMILES for [2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2ccc(OC3CCOC3)cc2Br)cc1.
What is the InChIKey of [2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone?
The InChIKey is PMPNLUCOXHRQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrO3/c1-2-13-3-5-14(6-4-13)19(21)17-8-7-15(11-18(17)20)23-16-9-10-22-12-16/h3-8,11,16H,2,9-10,12H2,1H3.
What are the key properties of [2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone?
[2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone has a molecular weight of 375.26 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(oxolan-3-yloxy)phenyl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 69261050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).