4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one

C14H14O6 — CID 87969158

IUPAC4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one
SMILESCC=COc1c(O)c2ccc(OCCO)cc2oc1=O
InChIInChI=1S/C14H14O6/c1-2-6-19-13-12(16)10-4-3-9(18-7-5-15)8-11(10)20-14(13)17/h2-4,6,8,15-16H,5,7H2,1H3
InChIKeyDPSLESLWNAZPGT-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.78
Rot. Bonds5

About 4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one

4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one (PubChem CID 87969158) has the molecular formula C14H14O6 and a molecular weight of 278.26 g/mol. Its IUPAC name is 4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one.

Molecular Properties

Compound Name4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one
PubChem CID87969158
Molecular FormulaC14H14O6
Molecular Weight278.26 g/mol
Exact Mass278.08
IUPAC Name4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one
SMILESCC=COc1c(O)c2ccc(OCCO)cc2oc1=O
InChIInChI=1S/C14H14O6/c1-2-6-19-13-12(16)10-4-3-9(18-7-5-15)8-11(10)20-14(13)17/h2-4,6,8,15-16H,5,7H2,1H3
InChIKeyDPSLESLWNAZPGT-UHFFFAOYSA-N
XLogP1.78
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-7-(3-hydroxypropoxy)-3-prop-1-enoxychromen-2-one
CID 87969142
7-ethoxy-3-hex-1-enoxy-4-hydroxychromen-2-one
CID 54730071
4-hydroxy-7-(2-hydroxyethoxy)-3-octan-3-yloxychromen-2-one
CID 54696756
(7-butoxy-4-hydroxy-2-oxochromen-3-yl) acetate
CID 54703290
3-(3-butoxy-4-hydroxy-2-oxochromen-7-yl)oxypropanoic acid
CID 54696897
4-hydroxy-7-(2-hydroxyethoxy)-3-(4-methylhexyl)chromen-2-one
CID 174466577
8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one
CID 167621734
7-[(E)-hex-3-enoxy]-4-hydroxy-3-propan-2-yloxychromen-2-one
CID 54690514
3-(4-hydroxy-3-octoxy-2-oxochromen-7-yl)oxypropyl acetate
CID 54694186
4-hydroxy-6-(2-hydroxyethoxy)-3-(2-methylpentoxy)chromen-2-one
CID 54696910
3-hexoxy-4-hydroxy-7-methoxychromen-2-one
CID 54694152
2-[4-hydroxy-3-(3-methylbut-2-enoxy)-2-oxochromen-7-yl]oxyacetic acid
CID 54696733

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one?
The IUPAC name of 4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one (CID 87969158) is 4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one.
What is the SMILES notation for 4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one?
The canonical SMILES for 4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one is CC=COc1c(O)c2ccc(OCCO)cc2oc1=O.
What is the InChIKey of 4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one?
The InChIKey is DPSLESLWNAZPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6/c1-2-6-19-13-12(16)10-4-3-9(18-7-5-15)8-11(10)20-14(13)17/h2-4,6,8,15-16H,5,7H2,1H3.
What are the key properties of 4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one?
4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one has a molecular weight of 278.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one is sourced from PubChem (CID 87969158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).