(3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

C32H30O8 — CID 118983375

IUPAC(3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc([C@H]2COc3cc(O)ccc3[C@@H]2c2cc(C3COc4cc(O)ccc4C3)c(O)cc2OC)c(O)c1
InChIInChI=1S/C32H30O8/c1-37-21-6-8-22(27(35)12-21)26-16-40-31-11-20(34)5-7-23(31)32(26)25-13-24(28(36)14-30(25)38-2)18-9-17-3-4-19(33)10-29(17)39-15-18/h3-8,10-14,18,26,32-36H,9,15-16H2,1-2H3/t18?,26-,32-/m1/s1
InChIKeyGMRYHQZTHKNHAY-DZAZGVBDSA-N
MW542.58 g/mol
LogP5.55
Rot. Bonds5

About (3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

(3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 118983375) has the molecular formula C32H30O8 and a molecular weight of 542.58 g/mol. Its IUPAC name is (3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID118983375
Molecular FormulaC32H30O8
Molecular Weight542.58 g/mol
Exact Mass542.19
IUPAC Name(3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc([C@H]2COc3cc(O)ccc3[C@@H]2c2cc(C3COc4cc(O)ccc4C3)c(O)cc2OC)c(O)c1
InChIInChI=1S/C32H30O8/c1-37-21-6-8-22(27(35)12-21)26-16-40-31-11-20(34)5-7-23(31)32(26)25-13-24(28(36)14-30(25)38-2)18-9-17-3-4-19(33)10-29(17)39-15-18/h3-8,10-14,18,26,32-36H,9,15-16H2,1-2H3/t18?,26-,32-/m1/s1
InChIKeyGMRYHQZTHKNHAY-DZAZGVBDSA-N
XLogP5.55
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.58
LogP ≤ 55.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol with MolForge

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Related Compounds

3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 591830
2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
CID 5319689
3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11372768
3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 42604621
(6aR,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CID 53298585
4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 163756216
9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol
CID 46881109
3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11405317
3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol
CID 177248657
(6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol
CID 134845045
4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
CID 139809687
4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol
CID 166888963

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 118983375) is (3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is COc1ccc([C@H]2COc3cc(O)ccc3[C@@H]2c2cc(C3COc4cc(O)ccc4C3)c(O)cc2OC)c(O)c1.
What is the InChIKey of (3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is GMRYHQZTHKNHAY-DZAZGVBDSA-N. The full InChI is InChI=1S/C32H30O8/c1-37-21-6-8-22(27(35)12-21)26-16-40-31-11-20(34)5-7-23(31)32(26)25-13-24(28(36)14-30(25)38-2)18-9-17-3-4-19(33)10-29(17)39-15-18/h3-8,10-14,18,26,32-36H,9,15-16H2,1-2H3/t18?,26-,32-/m1/s1.
What are the key properties of (3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
(3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 542.58 g/mol, XLogP of 5.55, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 118983375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).