(1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene

C52H52O9 — CID 160699059

IUPAC(1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene
SMILESCOc1ccc(C2=Cc3cc(OC)cc(OC)c3[C@@H]2c2cc(OC)cc(OC)c2)cc1.COc1ccc([C@@H]2C(c3cc(C)cc(OC)c3)=Cc3cc(OC)cc(OC)c32)cc1
InChIInChI=1S/C26H26O5.C26H26O4/c1-27-19-8-6-16(7-9-19)23-13-18-12-22(30-4)15-24(31-5)26(18)25(23)17-10-20(28-2)14-21(11-17)29-3;1-16-10-18(12-21(11-16)28-3)23-14-19-13-22(29-4)15-24(30-5)26(19)25(23)17-6-8-20(27-2)9-7-17/h6-15,25H,1-5H3;6-15,25H,1-5H3/t2*25-/m11/s1
InChIKeyRQJJCCFSGFJEFF-PYZOFXEKSA-N
MW820.98 g/mol
LogP11.13
Rot. Bonds13

About (1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene

(1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene (PubChem CID 160699059) has the molecular formula C52H52O9 and a molecular weight of 820.98 g/mol. Its IUPAC name is (1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene.

Molecular Properties

Compound Name(1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene
PubChem CID160699059
Molecular FormulaC52H52O9
Molecular Weight820.98 g/mol
Exact Mass820.36
IUPAC Name(1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene
SMILESCOc1ccc(C2=Cc3cc(OC)cc(OC)c3[C@@H]2c2cc(OC)cc(OC)c2)cc1.COc1ccc([C@@H]2C(c3cc(C)cc(OC)c3)=Cc3cc(OC)cc(OC)c32)cc1
InChIInChI=1S/C26H26O5.C26H26O4/c1-27-19-8-6-16(7-9-19)23-13-18-12-22(30-4)15-24(31-5)26(18)25(23)17-10-20(28-2)14-21(11-17)29-3;1-16-10-18(12-21(11-16)28-3)23-14-19-13-22(29-4)15-24(30-5)26(19)25(23)17-6-8-20(27-2)9-7-17/h6-15,25H,1-5H3;6-15,25H,1-5H3/t2*25-/m11/s1
InChIKeyRQJJCCFSGFJEFF-PYZOFXEKSA-N
XLogP11.13
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.98
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene 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

1,3,6,8-tetramethoxy-5,10-bis(4-methoxyphenyl)-5,10-dihydroindeno[2,1-a]indene
CID 102287735
(1S,2S,3S)-1-chloro-3-(3,5-dimethoxyphenyl)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 89202386
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
2-(3,5-dimethoxyphenyl)-1,3,5-trimethylbenzene
CID 132567017
(2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
CID 14080194
(4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540146
1-(113C)methoxy-4-methylbenzene
CID 166176950
(4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium
CID 122206249
5,7-dimethoxy-1H-inden-1-amine
CID 82158129
4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 71028015
3-methoxy-2-(3-methoxy-5-methylphenyl)-7-methylquinoline
CID 58871227

Frequently Asked Questions

What is the IUPAC name of (1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene?
The IUPAC name of (1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene (CID 160699059) is (1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene.
What is the SMILES notation for (1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene?
The canonical SMILES for (1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene is COc1ccc(C2=Cc3cc(OC)cc(OC)c3[C@@H]2c2cc(OC)cc(OC)c2)cc1.COc1ccc([C@@H]2C(c3cc(C)cc(OC)c3)=Cc3cc(OC)cc(OC)c32)cc1.
What is the InChIKey of (1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene?
The InChIKey is RQJJCCFSGFJEFF-PYZOFXEKSA-N. The full InChI is InChI=1S/C26H26O5.C26H26O4/c1-27-19-8-6-16(7-9-19)23-13-18-12-22(30-4)15-24(31-5)26(18)25(23)17-10-20(28-2)14-21(11-17)29-3;1-16-10-18(12-21(11-16)28-3)23-14-19-13-22(29-4)15-24(30-5)26(19)25(23)17-6-8-20(27-2)9-7-17/h6-15,25H,1-5H3;6-15,25H,1-5H3/t2*25-/m11/s1.
What are the key properties of (1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene?
(1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene has a molecular weight of 820.98 g/mol, XLogP of 11.13, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5,7-dimethoxy-2-(3-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)-1H-indene;(1R)-1-(3,5-dimethoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indene is sourced from PubChem (CID 160699059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).