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

C17H14O3 — CID 721848

IUPAC3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one
SMILESC=C(C)COc1ccc2c(c1)oc(=O)c1ccccc12
InChIInChI=1S/C17H14O3/c1-11(2)10-19-12-7-8-14-13-5-3-4-6-15(13)17(18)20-16(14)9-12/h3-9H,1,10H2,2H3
InChIKeySYAQUPQZRPWGQP-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.90
Rot. Bonds3

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

3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one (PubChem CID 721848) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one
PubChem CID721848
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one
SMILESC=C(C)COc1ccc2c(c1)oc(=O)c1ccccc12
InChIInChI=1S/C17H14O3/c1-11(2)10-19-12-7-8-14-13-5-3-4-6-15(13)17(18)20-16(14)9-12/h3-9H,1,10H2,2H3
InChIKeySYAQUPQZRPWGQP-UHFFFAOYSA-N
XLogP3.90
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one
CID 806874
2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 701972
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]butanoic acid
CID 3322999
3-[(2S)-3-oxobutan-2-yl]oxybenzo[c]chromen-6-one
CID 914972
3-[2-(2,2-dimethyloxan-4-yl)-2-oxoethoxy]benzo[c]chromen-6-one
CID 3786684
3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one
CID 746170
3-(2-methoxyphenyl)-2-methyl-7-(2-methylprop-2-enoxy)chromen-4-one
CID 889835
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one?
The IUPAC name of 3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one (CID 721848) is 3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one?
The canonical SMILES for 3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one is C=C(C)COc1ccc2c(c1)oc(=O)c1ccccc12.
What is the InChIKey of 3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one?
The InChIKey is SYAQUPQZRPWGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11(2)10-19-12-7-8-14-13-5-3-4-6-15(13)17(18)20-16(14)9-12/h3-9H,1,10H2,2H3.
What are the key properties of 3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one?
3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one has a molecular weight of 266.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one is sourced from PubChem (CID 721848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).