5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one

C22H24O6 — CID 22376440

IUPAC5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one
SMILESCCCOc1cc(O)c2c(=O)cc(-c3ccc(C(C)COC)c(O)c3)oc2c1
InChIInChI=1S/C22H24O6/c1-4-7-27-15-9-18(24)22-19(25)11-20(28-21(22)10-15)14-5-6-16(17(23)8-14)13(2)12-26-3/h5-6,8-11,13,23-24H,4,7,12H2,1-3H3
InChIKeyRZVOGKUHYCGICQ-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.41
Rot. Bonds7

About 5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one

5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one (PubChem CID 22376440) has the molecular formula C22H24O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is 5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one
PubChem CID22376440
Molecular FormulaC22H24O6
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one
SMILESCCCOc1cc(O)c2c(=O)cc(-c3ccc(C(C)COC)c(O)c3)oc2c1
InChIInChI=1S/C22H24O6/c1-4-7-27-15-9-18(24)22-19(25)11-20(28-21(22)10-15)14-5-6-16(17(23)8-14)13(2)12-26-3/h5-6,8-11,13,23-24H,4,7,12H2,1-3H3
InChIKeyRZVOGKUHYCGICQ-UHFFFAOYSA-N
XLogP4.41
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate
CID 177001497
7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one
CID 19049226
7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
CID 132568297
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one
CID 59152476
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-piperidin-1-ylethoxy)chromen-4-one;hydrochloride
CID 142688405
7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
CID 177372719
2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one
CID 44610309
2-[4-[7-(cyanomethoxy)-5-hydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]acetonitrile
CID 175017796
5-hydroxy-7-(3-methylbut-2-enoxy)-2-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
CID 131859007

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one?
The IUPAC name of 5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one (CID 22376440) is 5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one.
What is the SMILES notation for 5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one?
The canonical SMILES for 5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one is CCCOc1cc(O)c2c(=O)cc(-c3ccc(C(C)COC)c(O)c3)oc2c1.
What is the InChIKey of 5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one?
The InChIKey is RZVOGKUHYCGICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O6/c1-4-7-27-15-9-18(24)22-19(25)11-20(28-21(22)10-15)14-5-6-16(17(23)8-14)13(2)12-26-3/h5-6,8-11,13,23-24H,4,7,12H2,1-3H3.
What are the key properties of 5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one?
5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one has a molecular weight of 384.43 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one is sourced from PubChem (CID 22376440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).