7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one

C19H17BrO3 — CID 22310572

IUPAC7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
InChIInChI=1S/C19H17BrO3/c1-2-3-14-10-19(21)23-18-11-16(8-9-17(14)18)22-12-13-4-6-15(20)7-5-13/h4-11H,2-3,12H2,1H3
InChIKeyOMLUQSQGNMPTDQ-UHFFFAOYSA-N
MW373.25 g/mol
LogP5.09
Rot. Bonds5

About 7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one

7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one (PubChem CID 22310572) has the molecular formula C19H17BrO3 and a molecular weight of 373.25 g/mol. Its IUPAC name is 7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
PubChem CID22310572
Molecular FormulaC19H17BrO3
Molecular Weight373.25 g/mol
Exact Mass372.04
IUPAC Name7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
InChIInChI=1S/C19H17BrO3/c1-2-3-14-10-19(21)23-18-11-16(8-9-17(14)18)22-12-13-4-6-15(20)7-5-13/h4-11H,2-3,12H2,1H3
InChIKeyOMLUQSQGNMPTDQ-UHFFFAOYSA-N
XLogP5.09
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.25
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
CID 1325534
7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
CID 7917681
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one
CID 7917685
7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one
CID 886164
7-[(4-bromophenyl)methoxy]-4-butyl-6-chlorochromen-2-one
CID 23826738
4-propyl-7-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 46933173
7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one
CID 23763929
7-(3-but-1-en-2-yloxypropoxy)-4-propylchromen-2-one
CID 88940715
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 26024046
methyl 5-[(4-butyl-2-oxochromen-7-yl)oxymethyl]furan-2-carboxylate
CID 51703742
7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one
CID 112787885
6-ethoxy-4-propylchromen-2-one
CID 134087770

Frequently Asked Questions

What is the IUPAC name of 7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one?
The IUPAC name of 7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one (CID 22310572) is 7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one.
What is the SMILES notation for 7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one?
The canonical SMILES for 7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12.
What is the InChIKey of 7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one?
The InChIKey is OMLUQSQGNMPTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO3/c1-2-3-14-10-19(21)23-18-11-16(8-9-17(14)18)22-12-13-4-6-15(20)7-5-13/h4-11H,2-3,12H2,1H3.
What are the key properties of 7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one?
7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one has a molecular weight of 373.25 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one is sourced from PubChem (CID 22310572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).