8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one

C18H14O5 — CID 101448223

IUPAC8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one
SMILESC=C1C(=O)Oc2cc3c(cc2C1c1ccc(OC)cc1)OCO3
InChIInChI=1S/C18H14O5/c1-10-17(11-3-5-12(20-2)6-4-11)13-7-15-16(22-9-21-15)8-14(13)23-18(10)19/h3-8,17H,1,9H2,2H3
InChIKeyUUEVIHZSGOAZCV-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.03
Rot. Bonds2

About 8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one

8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one (PubChem CID 101448223) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one
PubChem CID101448223
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one
SMILESC=C1C(=O)Oc2cc3c(cc2C1c1ccc(OC)cc1)OCO3
InChIInChI=1S/C18H14O5/c1-10-17(11-3-5-12(20-2)6-4-11)13-7-15-16(22-9-21-15)8-14(13)23-18(10)19/h3-8,17H,1,9H2,2H3
InChIKeyUUEVIHZSGOAZCV-UHFFFAOYSA-N
XLogP3.03
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

6-amino-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 2941798
(8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 680082
(10S)-10-(4-methoxyphenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 27879134
4-butyl-7-methoxy-3-methylidene-4H-chromen-2-one
CID 70690566
8-(4-methoxyphenyl)-6,6,7-trimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 18337459
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 15859200
1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine
CID 10597356
1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole
CID 25135888
(6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 6993164
(2E)-2-[(8S)-8-(4-methoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ylidene]-1-thiophen-2-ylpropan-1-one
CID 139050424
7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one
CID 99986944
(8R)-6-amino-8-(2,5-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 7014603

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one?
The IUPAC name of 8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one (CID 101448223) is 8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one.
What is the SMILES notation for 8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one?
The canonical SMILES for 8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one is C=C1C(=O)Oc2cc3c(cc2C1c1ccc(OC)cc1)OCO3.
What is the InChIKey of 8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one?
The InChIKey is UUEVIHZSGOAZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-10-17(11-3-5-12(20-2)6-4-11)13-7-15-16(22-9-21-15)8-14(13)23-18(10)19/h3-8,17H,1,9H2,2H3.
What are the key properties of 8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one?
8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one has a molecular weight of 310.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one is sourced from PubChem (CID 101448223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).