5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one

C19H18O4 — CID 132988563

IUPAC5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one
SMILESC=C(C)c1cc2c(cc(OCC=C(C)C)c3ccc(=O)oc32)o1
InChIInChI=1S/C19H18O4/c1-11(2)7-8-21-16-10-17-14(9-15(22-17)12(3)4)19-13(16)5-6-18(20)23-19/h5-7,9-10H,3,8H2,1-2,4H3
InChIKeySGLHPSWYNWJWRD-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.92
Rot. Bonds4

About 5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one

5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one (PubChem CID 132988563) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one
PubChem CID132988563
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one
SMILESC=C(C)c1cc2c(cc(OCC=C(C)C)c3ccc(=O)oc32)o1
InChIInChI=1S/C19H18O4/c1-11(2)7-8-21-16-10-17-14(9-15(22-17)12(3)4)19-13(16)5-6-18(20)23-19/h5-7,9-10H,3,8H2,1-2,4H3
InChIKeySGLHPSWYNWJWRD-UHFFFAOYSA-N
XLogP4.92
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-hydroxy-8-iodo-5-(3-methylbut-2-enoxy)chromen-2-one
CID 71414150
8-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one
CID 12772889
ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate
CID 15385144
6-hydroxy-7-[(E)-4-hydroxy-3-methylbut-2-enoxy]chromen-2-one
CID 102187242
7-(3,7-dimethylocta-2,5,7-trienoxy)-8-methoxychromen-2-one
CID 163030995
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one;7-(3-methylbut-2-enoxy)chromen-2-one
CID 145196276
5-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-7-hydroxychromen-2-one
CID 162997795
1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one
CID 140979702
4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
CID 161472291
ethyl 3-[4,8-dimethyl-7-(3-methylbut-2-enoxy)-2-oxochromen-3-yl]propanoate
CID 1298171
2-[4,8-dimethyl-7-(3-methylbut-2-enoxy)-2-oxochromen-3-yl]acetate
CID 7083781
2-chloro-3-(3-methylbut-2-enoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 705658

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one?
The IUPAC name of 5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one (CID 132988563) is 5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one is C=C(C)c1cc2c(cc(OCC=C(C)C)c3ccc(=O)oc32)o1.
What is the InChIKey of 5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one?
The InChIKey is SGLHPSWYNWJWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-11(2)7-8-21-16-10-17-14(9-15(22-17)12(3)4)19-13(16)5-6-18(20)23-19/h5-7,9-10H,3,8H2,1-2,4H3.
What are the key properties of 5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one?
5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one has a molecular weight of 310.35 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbut-2-enoxy)-8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 132988563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).