7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one

C21H20O4 — CID 10925737

IUPAC7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one
SMILESC=CCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1
InChIInChI=1S/C21H20O4/c1-2-3-4-5-12-24-17-10-11-18-20(13-17)25-14-19(21(18)23)15-6-8-16(22)9-7-15/h2,6-11,13-14,22H,1,3-5,12H2
InChIKeyCATCPEKSVNZNNV-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.90
Rot. Bonds7

About 7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one

7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one (PubChem CID 10925737) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one
PubChem CID10925737
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Name7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one
SMILESC=CCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1
InChIInChI=1S/C21H20O4/c1-2-3-4-5-12-24-17-10-11-18-20(13-17)25-14-19(21(18)23)15-6-8-16(22)9-7-15/h2,6-11,13-14,22H,1,3-5,12H2
InChIKeyCATCPEKSVNZNNV-UHFFFAOYSA-N
XLogP4.90
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one
CID 11811829
3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one
CID 56640470
7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one
CID 56640468
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one
CID 71698611
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
Daidzein 7-Sulfate Potassium Salt
CID 169436996
3-(4-ethenylphenyl)-7-hydroxychromen-4-one
CID 71481413
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;[3-(4-hydroxyphenyl)-4-oxochromen-7-yl] 2-chloroacetate
CID 158879898
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
2-methylpropyl 5-[4-(7-hydroxy-4-oxochromen-3-yl)phenoxy]-2,2-dimethylpentanoate
CID 44625222
ethyl 4-[[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxymethyl]benzoate
CID 67279205

Frequently Asked Questions

What is the IUPAC name of 7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one (CID 10925737) is 7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one is C=CCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1.
What is the InChIKey of 7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is CATCPEKSVNZNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4/c1-2-3-4-5-12-24-17-10-11-18-20(13-17)25-14-19(21(18)23)15-6-8-16(22)9-7-15/h2,6-11,13-14,22H,1,3-5,12H2.
What are the key properties of 7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one?
7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 336.39 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 10925737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).