3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one

C16H18O5 — CID 54535830

IUPAC3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one
SMILESCCC=CCCOc1c(OC)c2ccc(O)cc2oc1=O
InChIInChI=1S/C16H18O5/c1-3-4-5-6-9-20-15-14(19-2)12-8-7-11(17)10-13(12)21-16(15)18/h4-5,7-8,10,17H,3,6,9H2,1-2H3
InChIKeyYZSCGOOODCIYJW-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.24
Rot. Bonds6

About 3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one

3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one (PubChem CID 54535830) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one.

Molecular Properties

Compound Name3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one
PubChem CID54535830
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Name3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one
SMILESCCC=CCCOc1c(OC)c2ccc(O)cc2oc1=O
InChIInChI=1S/C16H18O5/c1-3-4-5-6-9-20-15-14(19-2)12-8-7-11(17)10-13(12)21-16(15)18/h4-5,7-8,10,17H,3,6,9H2,1-2H3
InChIKeyYZSCGOOODCIYJW-UHFFFAOYSA-N
XLogP3.24
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-decoxy-3-[(E)-hex-3-enoxy]-7-hydroxychromen-2-one
CID 19929287
(3-hex-3-enoxy-4-methoxy-2-oxochromen-7-yl) acetate
CID 54156543
3-hex-3-enoxy-8-hydroxy-4-methoxychromen-2-one
CID 54540285
3-hex-3-enoxy-4,7-di(propan-2-yloxy)chromen-2-one
CID 54183997
[3,7-bis(hex-3-enoxy)-2-oxochromen-4-yl] acetate
CID 54140850
3,4-bis(hex-3-enoxy)-7-[(2-methylpropan-2-yl)oxy]chromen-2-one
CID 54312103
4-decoxy-3,7-bis[(E)-hex-3-enoxy]chromen-2-one
CID 19929786
4,7-didecoxy-3-hex-3-enoxychromen-2-one
CID 54524613
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-[(E)-hex-3-enoxy]-7-methoxychromen-2-one
CID 19929733
3-hex-3-enoxy-7-[(2-methylpropan-2-yl)oxy]-4-propan-2-yloxychromen-2-one
CID 54406948
(3-acetyloxy-7-hex-3-enoxy-2-oxochromen-4-yl) acetate
CID 54030802
[3-decoxy-4-[(E)-hex-3-enoxy]-2-oxochromen-7-yl] acetate
CID 19929216

Frequently Asked Questions

What is the IUPAC name of 3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one?
The IUPAC name of 3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one (CID 54535830) is 3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one.
What is the SMILES notation for 3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one?
The canonical SMILES for 3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one is CCC=CCCOc1c(OC)c2ccc(O)cc2oc1=O.
What is the InChIKey of 3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one?
The InChIKey is YZSCGOOODCIYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-3-4-5-6-9-20-15-14(19-2)12-8-7-11(17)10-13(12)21-16(15)18/h4-5,7-8,10,17H,3,6,9H2,1-2H3.
What are the key properties of 3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one?
3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one has a molecular weight of 290.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-3-enoxy-7-hydroxy-4-methoxychromen-2-one is sourced from PubChem (CID 54535830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).