(2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one

C23H22O7 — CID 163187547

IUPAC(2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILESC=C(C)[C@H]1Cc2c(cc3oc(-c4ccc(O)c(OC)c4)c(OC)c(=O)c3c2OC)O1
InChIInChI=1S/C23H22O7/c1-11(2)15-9-13-16(29-15)10-18-19(22(13)27-4)20(25)23(28-5)21(30-18)12-6-7-14(24)17(8-12)26-3/h6-8,10,15,24H,1,9H2,2-5H3/t15-/m1/s1
InChIKeyBXRQRJLYPSAKLP-OAHLLOKOSA-N
MW410.42 g/mol
LogP4.07
Rot. Bonds5

About (2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one

(2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one (PubChem CID 163187547) has the molecular formula C23H22O7 and a molecular weight of 410.42 g/mol. Its IUPAC name is (2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name(2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
PubChem CID163187547
Molecular FormulaC23H22O7
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC Name(2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILESC=C(C)[C@H]1Cc2c(cc3oc(-c4ccc(O)c(OC)c4)c(OC)c(=O)c3c2OC)O1
InChIInChI=1S/C23H22O7/c1-11(2)15-9-13-16(29-15)10-18-19(22(13)27-4)20(25)23(28-5)21(30-18)12-6-7-14(24)17(8-12)26-3/h6-8,10,15,24H,1,9H2,2-5H3/t15-/m1/s1
InChIKeyBXRQRJLYPSAKLP-OAHLLOKOSA-N
XLogP4.07
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one
CID 11163118
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one
CID 5316815
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58667503
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one
CID 167110086
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
CID 162907238
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 13344657
[4-(5-hydroxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] acetate
CID 124519226
5,6,7-trihydroxy-2-(4-hydroxy-3-methylphenyl)-3-methoxychromen-4-one
CID 163023602
(6R)-10-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
CID 5490819

Frequently Asked Questions

What is the IUPAC name of (2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one?
The IUPAC name of (2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one (CID 163187547) is (2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one.
What is the SMILES notation for (2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one?
The canonical SMILES for (2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one is C=C(C)[C@H]1Cc2c(cc3oc(-c4ccc(O)c(OC)c4)c(OC)c(=O)c3c2OC)O1.
What is the InChIKey of (2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one?
The InChIKey is BXRQRJLYPSAKLP-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H22O7/c1-11(2)15-9-13-16(29-15)10-18-19(22(13)27-4)20(25)23(28-5)21(30-18)12-6-7-14(24)17(8-12)26-3/h6-8,10,15,24H,1,9H2,2-5H3/t15-/m1/s1.
What are the key properties of (2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one?
(2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one has a molecular weight of 410.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one is sourced from PubChem (CID 163187547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).