6-(3-bromopropoxy)-2-phenylchromen-4-one

C18H15BrO3 — CID 139992556

IUPAC6-(3-bromopropoxy)-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccc(OCCCBr)cc12
InChIInChI=1S/C18H15BrO3/c19-9-4-10-21-14-7-8-17-15(11-14)16(20)12-18(22-17)13-5-2-1-3-6-13/h1-3,5-8,11-12H,4,9-10H2
InChIKeyQQEUTSSRTIDFGU-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.62
Rot. Bonds5

About 6-(3-bromopropoxy)-2-phenylchromen-4-one

6-(3-bromopropoxy)-2-phenylchromen-4-one (PubChem CID 139992556) has the molecular formula C18H15BrO3 and a molecular weight of 359.22 g/mol. Its IUPAC name is 6-(3-bromopropoxy)-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-(3-bromopropoxy)-2-phenylchromen-4-one
PubChem CID139992556
Molecular FormulaC18H15BrO3
Molecular Weight359.22 g/mol
Exact Mass358.02
IUPAC Name6-(3-bromopropoxy)-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccc(OCCCBr)cc12
InChIInChI=1S/C18H15BrO3/c19-9-4-10-21-14-7-8-17-15(11-14)16(20)12-18(22-17)13-5-2-1-3-6-13/h1-3,5-8,11-12H,4,9-10H2
InChIKeyQQEUTSSRTIDFGU-UHFFFAOYSA-N
XLogP4.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethoxy)-2-phenylchromen-4-one
CID 174619447
6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949
7-(3-bromopropoxy)-2-(4-chlorophenyl)chromen-4-one
CID 53324174
6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one
CID 14982977
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
1,3-dimethyl-6-[4-[3-(4-oxo-2-phenylchromen-6-yl)oxypropyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 19898763
7-(3-bromopropoxy)-2-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 139992479
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
2-(4-aminophenyl)-6-propoxychromen-4-one
CID 82046490
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
7-(aminomethoxy)-2-phenylchromen-4-one
CID 88981514

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromopropoxy)-2-phenylchromen-4-one?
The IUPAC name of 6-(3-bromopropoxy)-2-phenylchromen-4-one (CID 139992556) is 6-(3-bromopropoxy)-2-phenylchromen-4-one.
What is the SMILES notation for 6-(3-bromopropoxy)-2-phenylchromen-4-one?
The canonical SMILES for 6-(3-bromopropoxy)-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2ccc(OCCCBr)cc12.
What is the InChIKey of 6-(3-bromopropoxy)-2-phenylchromen-4-one?
The InChIKey is QQEUTSSRTIDFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO3/c19-9-4-10-21-14-7-8-17-15(11-14)16(20)12-18(22-17)13-5-2-1-3-6-13/h1-3,5-8,11-12H,4,9-10H2.
What are the key properties of 6-(3-bromopropoxy)-2-phenylchromen-4-one?
6-(3-bromopropoxy)-2-phenylchromen-4-one has a molecular weight of 359.22 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromopropoxy)-2-phenylchromen-4-one is sourced from PubChem (CID 139992556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).