2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one

C30H34O6 — CID 163094533

IUPAC2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one
SMILESCC(C)=CCc1c2c(c3oc(-c4ccc(O)cc4O)c(CC=C(C)C)c(=O)c3c1O)CC(C(C)C)O2
InChIInChI=1S/C30H34O6/c1-15(2)7-10-20-26(33)25-27(34)21(11-8-16(3)4)29-22(14-24(35-29)17(5)6)30(25)36-28(20)19-12-9-18(31)13-23(19)32/h7-9,12-13,17,24,31-32,34H,10-11,14H2,1-6H3
InChIKeyQBVREXBAKZPCIL-UHFFFAOYSA-N
MW490.60 g/mol
LogP6.55
Rot. Bonds6

About 2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one

2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one (PubChem CID 163094533) has the molecular formula C30H34O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one
PubChem CID163094533
Molecular FormulaC30H34O6
Molecular Weight490.60 g/mol
Exact Mass490.24
IUPAC Name2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one
SMILESCC(C)=CCc1c2c(c3oc(-c4ccc(O)cc4O)c(CC=C(C)C)c(=O)c3c1O)CC(C(C)C)O2
InChIInChI=1S/C30H34O6/c1-15(2)7-10-20-26(33)25-27(34)21(11-8-16(3)4)29-22(14-24(35-29)17(5)6)30(25)36-28(20)19-12-9-18(31)13-23(19)32/h7-9,12-13,17,24,31-32,34H,10-11,14H2,1-6H3
InChIKeyQBVREXBAKZPCIL-UHFFFAOYSA-N
XLogP6.55
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 56.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6-bis(3-methylbut-2-enyl)chromen-4-one
CID 15478905
5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-3-(3-methylbut-2-enyl)chromen-4-one
CID 162859073
2-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 10291003
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
CID 1849
8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one
CID 144981183
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-8-(3-methylbut-2-enyl)chromen-4-one
CID 163090353
5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
CID 45113120
8-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-3-(3-methylbut-2-enyl)chromen-4-one
CID 59391999
2-(2,4-dihydroxyphenyl)-3-(3,7-dimethylocta-2,6-dienyl)-7-hydroxychromen-4-one
CID 71438276
(3R)-3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 26213316
10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol
CID 25208435
2-tert-butyl-4,6,9-trihydroxy-11-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]xanthen-5-one
CID 163027817

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one?
The IUPAC name of 2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one (CID 163094533) is 2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one is CC(C)=CCc1c2c(c3oc(-c4ccc(O)cc4O)c(CC=C(C)C)c(=O)c3c1O)CC(C(C)C)O2.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one?
The InChIKey is QBVREXBAKZPCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O6/c1-15(2)7-10-20-26(33)25-27(34)21(11-8-16(3)4)29-22(14-24(35-29)17(5)6)30(25)36-28(20)19-12-9-18(31)13-23(19)32/h7-9,12-13,17,24,31-32,34H,10-11,14H2,1-6H3.
What are the key properties of 2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one?
2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one has a molecular weight of 490.60 g/mol, XLogP of 6.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)-5-hydroxy-3,6-bis(3-methylbut-2-enyl)-8-propan-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one is sourced from PubChem (CID 163094533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).