3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one

C16H11ClO3 — CID 806874

IUPAC3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one
SMILESC=C(Cl)COc1ccc2c(c1)oc(=O)c1ccccc12
InChIInChI=1S/C16H11ClO3/c1-10(17)9-19-11-6-7-13-12-4-2-3-5-14(12)16(18)20-15(13)8-11/h2-8H,1,9H2
InChIKeyVNCDXBKMSNRHPI-UHFFFAOYSA-N
MW286.71 g/mol
LogP4.08
Rot. Bonds3

About 3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one

3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one (PubChem CID 806874) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is 3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one.

Molecular Properties

Compound Name3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one
PubChem CID806874
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Name3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one
SMILESC=C(Cl)COc1ccc2c(c1)oc(=O)c1ccccc12
InChIInChI=1S/C16H11ClO3/c1-10(17)9-19-11-6-7-13-12-4-2-3-5-14(12)16(18)20-15(13)8-11/h2-8H,1,9H2
InChIKeyVNCDXBKMSNRHPI-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one
CID 721848
2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266
propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 701972
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one
CID 746170
2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]butanoic acid
CID 3322999
2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide
CID 156790060
3-(2-chloroprop-2-enoxy)-4-methylbenzo[c]chromen-6-one
CID 2062930
3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one
CID 1121024
3-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]benzo[c]chromen-6-one
CID 1332741
3-[2-(3a,4-dihydro-1,3-benzodioxol-5-yl)-2-oxoethoxy]benzo[c]chromen-6-one
CID 123262895

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one?
The IUPAC name of 3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one (CID 806874) is 3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one.
What is the SMILES notation for 3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one?
The canonical SMILES for 3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one is C=C(Cl)COc1ccc2c(c1)oc(=O)c1ccccc12.
What is the InChIKey of 3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one?
The InChIKey is VNCDXBKMSNRHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c1-10(17)9-19-11-6-7-13-12-4-2-3-5-14(12)16(18)20-15(13)8-11/h2-8H,1,9H2.
What are the key properties of 3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one?
3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one has a molecular weight of 286.71 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one is sourced from PubChem (CID 806874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).