(3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol

C24H28O6 — CID 130437454

IUPAC(3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol
SMILESCCC1Oc2c(ccc3c2C=CC(C)(C)O3)[C@@H](O)[C@H]1c1cc(OC)c(OC)cc1O
InChIInChI=1S/C24H28O6/c1-6-17-21(15-11-19(27-4)20(28-5)12-16(15)25)22(26)14-7-8-18-13(23(14)29-17)9-10-24(2,3)30-18/h7-12,17,21-22,25-26H,6H2,1-5H3/t17?,21-,22+/m0/s1
InChIKeyZDSWSDORYBDBHY-UOKKUGRISA-N
MW412.48 g/mol
LogP4.58
Rot. Bonds4

About (3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol

(3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol (PubChem CID 130437454) has the molecular formula C24H28O6 and a molecular weight of 412.48 g/mol. Its IUPAC name is (3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol.

Molecular Properties

Compound Name(3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol
PubChem CID130437454
Molecular FormulaC24H28O6
Molecular Weight412.48 g/mol
Exact Mass412.19
IUPAC Name(3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol
SMILESCCC1Oc2c(ccc3c2C=CC(C)(C)O3)[C@@H](O)[C@H]1c1cc(OC)c(OC)cc1O
InChIInChI=1S/C24H28O6/c1-6-17-21(15-11-19(27-4)20(28-5)12-16(15)25)22(26)14-7-8-18-13(23(14)29-17)9-10-24(2,3)30-18/h7-12,17,21-22,25-26H,6H2,1-5H3/t17?,21-,22+/m0/s1
InChIKeyZDSWSDORYBDBHY-UOKKUGRISA-N
XLogP4.58
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,14S)-17-methoxy-7,7,18-trimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15(20),16,18-heptaene;(1S,13S,14R)-17-methoxy-7,7,18-trimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15(20),16,18-heptaen-13-ol
CID 158447470
[(1S,13S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-yl] acetate
CID 71457424
(1S,13S,14R)-17-methoxy-7,7,18-trimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15(20),16,18-heptaen-13-ol;(1S,14S)-17-methoxy-7,7,18-trimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15(20),16,18-heptaen-13-one
CID 159547024
(2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 132988935
7-methoxy-2,2-dimethyl-6-propan-2-yloxychromene
CID 15390937
(1R,14R)-3-methoxy-7,7,20,20-tetramethyl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15(24),16,18(23),21-octaene
CID 101316460
(1S,14S)-17-(2-fluoroethoxy)-18-methoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
CID 130279682
(1S,14S)-18-(2-(18F)fluoroethoxy)-17-methoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
CID 11270226
(1S,14S)-18-(hydroxymethyl)-17-methoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15(20),16,18-heptaen-13-one
CID 70935875
4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol
CID 139568713
(3S,4R)-3-bromo-6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 14561850
4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane
CID 155725213

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol?
The IUPAC name of (3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol (CID 130437454) is (3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol.
What is the SMILES notation for (3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol?
The canonical SMILES for (3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol is CCC1Oc2c(ccc3c2C=CC(C)(C)O3)[C@@H](O)[C@H]1c1cc(OC)c(OC)cc1O.
What is the InChIKey of (3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol?
The InChIKey is ZDSWSDORYBDBHY-UOKKUGRISA-N. The full InChI is InChI=1S/C24H28O6/c1-6-17-21(15-11-19(27-4)20(28-5)12-16(15)25)22(26)14-7-8-18-13(23(14)29-17)9-10-24(2,3)30-18/h7-12,17,21-22,25-26H,6H2,1-5H3/t17?,21-,22+/m0/s1.
What are the key properties of (3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol?
(3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol has a molecular weight of 412.48 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2-ethyl-3-(2-hydroxy-4,5-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-4-ol is sourced from PubChem (CID 130437454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).