5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one

C22H20O6 — CID 100941748

IUPAC5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one
SMILESCOC1=CCC(c2c(O)cc3c(c2O)C(=O)CC(c2ccc(O)cc2)O3)C=C1
InChIInChI=1S/C22H20O6/c1-27-15-8-4-13(5-9-15)20-16(24)11-19-21(22(20)26)17(25)10-18(28-19)12-2-6-14(23)7-3-12/h2-4,6-9,11,13,18,23-24,26H,5,10H2,1H3
InChIKeyGKKIPUKKDNRNPK-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.08
Rot. Bonds3

About 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one (PubChem CID 100941748) has the molecular formula C22H20O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one
PubChem CID100941748
Molecular FormulaC22H20O6
Molecular Weight380.40 g/mol
Exact Mass380.13
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one
SMILESCOC1=CCC(c2c(O)cc3c(c2O)C(=O)CC(c2ccc(O)cc2)O3)C=C1
InChIInChI=1S/C22H20O6/c1-27-15-8-4-13(5-9-15)20-16(24)11-19-21(22(20)26)17(25)10-18(28-19)12-2-6-14(23)7-3-12/h2-4,6-9,11,13,18,23-24,26H,5,10H2,1H3
InChIKeyGKKIPUKKDNRNPK-UHFFFAOYSA-N
XLogP4.08
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 101143545
5-hydroxy-4-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-3,4,7,8-tetrahydropyrano[3,2-g]chromene-2,6-dione
CID 42607961
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 40577064
5-hydroxy-8-(3-hydroxy-4-methoxyphenyl)-4-(4-hydroxyphenyl)-3,4,7,8-tetrahydropyrano[3,2-g]chromene-2,6-dione
CID 169178516
(2S)-6-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 25212227
(4S,8R)-5-hydroxy-4,8-bis(4-hydroxyphenyl)-3,4,7,8-tetrahydropyrano[3,2-g]chromene-2,6-dione
CID 163019893
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
5,7-dihydroxy-6-[(2S,3R)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 10984228
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbutyl)-2,3-dihydrochromen-4-one
CID 142550277
6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 75069473
5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 14777422

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one (CID 100941748) is 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one is COC1=CCC(c2c(O)cc3c(c2O)C(=O)CC(c2ccc(O)cc2)O3)C=C1.
What is the InChIKey of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one?
The InChIKey is GKKIPUKKDNRNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O6/c1-27-15-8-4-13(5-9-15)20-16(24)11-19-21(22(20)26)17(25)10-18(28-19)12-2-6-14(23)7-3-12/h2-4,6-9,11,13,18,23-24,26H,5,10H2,1H3.
What are the key properties of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one?
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one has a molecular weight of 380.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(4-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 100941748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).