6-(chloromethoxy)-2-phenylchromen-4-one

C16H11ClO3 — CID 174619447

IUPAC6-(chloromethoxy)-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccc(OCCl)cc12
InChIInChI=1S/C16H11ClO3/c17-10-19-12-6-7-15-13(8-12)14(18)9-16(20-15)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeySLJALYDNTKJPMY-UHFFFAOYSA-N
MW286.71 g/mol
LogP4.04
Rot. Bonds3

About 6-(chloromethoxy)-2-phenylchromen-4-one

6-(chloromethoxy)-2-phenylchromen-4-one (PubChem CID 174619447) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is 6-(chloromethoxy)-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-(chloromethoxy)-2-phenylchromen-4-one
PubChem CID174619447
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Name6-(chloromethoxy)-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccc(OCCl)cc12
InChIInChI=1S/C16H11ClO3/c17-10-19-12-6-7-15-13(8-12)14(18)9-16(20-15)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeySLJALYDNTKJPMY-UHFFFAOYSA-N
XLogP4.04
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
6-(3-bromopropoxy)-2-phenylchromen-4-one
CID 139992556
6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
7-(aminomethoxy)-2-phenylchromen-4-one
CID 88981514
5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one
CID 11014249
6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one
CID 14982977
N-(4-fluorophenyl)-2-(4-oxo-2-phenylchromen-6-yl)oxyacetamide
CID 44587554
2-phenylchromen-4-one
CID 90124083
6-benzyl-2-phenylchromen-4-one
CID 90747479
6-ethyl-2-phenylchromen-4-one
CID 10999458
1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one
CID 10863568

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethoxy)-2-phenylchromen-4-one?
The IUPAC name of 6-(chloromethoxy)-2-phenylchromen-4-one (CID 174619447) is 6-(chloromethoxy)-2-phenylchromen-4-one.
What is the SMILES notation for 6-(chloromethoxy)-2-phenylchromen-4-one?
The canonical SMILES for 6-(chloromethoxy)-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2ccc(OCCl)cc12.
What is the InChIKey of 6-(chloromethoxy)-2-phenylchromen-4-one?
The InChIKey is SLJALYDNTKJPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c17-10-19-12-6-7-15-13(8-12)14(18)9-16(20-15)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 6-(chloromethoxy)-2-phenylchromen-4-one?
6-(chloromethoxy)-2-phenylchromen-4-one has a molecular weight of 286.71 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethoxy)-2-phenylchromen-4-one is sourced from PubChem (CID 174619447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).