5-(3-chloropropoxy)-2-phenylchromen-4-one

C18H15ClO3 — CID 14982930

IUPAC5-(3-chloropropoxy)-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cccc(OCCCCl)c12
InChIInChI=1S/C18H15ClO3/c19-10-5-11-21-15-8-4-9-16-18(15)14(20)12-17(22-16)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2
InChIKeyAXEFDAJAERQHFV-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.47
Rot. Bonds5

About 5-(3-chloropropoxy)-2-phenylchromen-4-one

5-(3-chloropropoxy)-2-phenylchromen-4-one (PubChem CID 14982930) has the molecular formula C18H15ClO3 and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-(3-chloropropoxy)-2-phenylchromen-4-one.

Molecular Properties

Compound Name5-(3-chloropropoxy)-2-phenylchromen-4-one
PubChem CID14982930
Molecular FormulaC18H15ClO3
Molecular Weight314.77 g/mol
Exact Mass314.07
IUPAC Name5-(3-chloropropoxy)-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cccc(OCCCCl)c12
InChIInChI=1S/C18H15ClO3/c19-10-5-11-21-15-8-4-9-16-18(15)14(20)12-17(22-16)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2
InChIKeyAXEFDAJAERQHFV-UHFFFAOYSA-N
XLogP4.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.47
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

2,5-diphenylchromen-4-one
CID 71424268
5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one
CID 141482087
CID 172853606
CID 172853606
5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one
CID 22264734
copper;2-phenylchromen-4-one
CID 175169427
7-hexoxy-2-phenyl-5,6-bis(phenylmethoxy)chromen-4-one
CID 56649089
5,7-bis(difluoromethoxy)-2-phenylchromen-4-one
CID 86038552
disodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride
CID 173065501
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one
CID 15896566
2-phenylchromen-4-one
CID 90124083

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropoxy)-2-phenylchromen-4-one?
The IUPAC name of 5-(3-chloropropoxy)-2-phenylchromen-4-one (CID 14982930) is 5-(3-chloropropoxy)-2-phenylchromen-4-one.
What is the SMILES notation for 5-(3-chloropropoxy)-2-phenylchromen-4-one?
The canonical SMILES for 5-(3-chloropropoxy)-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cccc(OCCCCl)c12.
What is the InChIKey of 5-(3-chloropropoxy)-2-phenylchromen-4-one?
The InChIKey is AXEFDAJAERQHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO3/c19-10-5-11-21-15-8-4-9-16-18(15)14(20)12-17(22-16)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2.
What are the key properties of 5-(3-chloropropoxy)-2-phenylchromen-4-one?
5-(3-chloropropoxy)-2-phenylchromen-4-one has a molecular weight of 314.77 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropoxy)-2-phenylchromen-4-one is sourced from PubChem (CID 14982930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).