(1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol

C23H26O3 — CID 18436358

IUPAC(1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)CC3C(CC[C@H]3O)C2)cc1
InChIInChI=1S/C23H26O3/c1-25-18-8-3-15(4-9-18)20-13-17-7-12-23(24)22(17)14-21(20)16-5-10-19(26-2)11-6-16/h3-6,8-11,17,22-24H,7,12-14H2,1-2H3/t17?,22?,23-/m1/s1
InChIKeyRFOXYRAFTGBPEW-JTPBLVHTSA-N
MW350.46 g/mol
LogP4.80
Rot. Bonds4

About (1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol

(1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol (PubChem CID 18436358) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol
PubChem CID18436358
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name(1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)CC3C(CC[C@H]3O)C2)cc1
InChIInChI=1S/C23H26O3/c1-25-18-8-3-15(4-9-18)20-13-17-7-12-23(24)22(17)14-21(20)16-5-10-19(26-2)11-6-16/h3-6,8-11,17,22-24H,7,12-14H2,1-2H3/t17?,22?,23-/m1/s1
InChIKeyRFOXYRAFTGBPEW-JTPBLVHTSA-N
XLogP4.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol?
The IUPAC name of (1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol (CID 18436358) is (1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol.
What is the SMILES notation for (1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol?
The canonical SMILES for (1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol is COc1ccc(C2=C(c3ccc(OC)cc3)CC3C(CC[C@H]3O)C2)cc1.
What is the InChIKey of (1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol?
The InChIKey is RFOXYRAFTGBPEW-JTPBLVHTSA-N. The full InChI is InChI=1S/C23H26O3/c1-25-18-8-3-15(4-9-18)20-13-17-7-12-23(24)22(17)14-21(20)16-5-10-19(26-2)11-6-16/h3-6,8-11,17,22-24H,7,12-14H2,1-2H3/t17?,22?,23-/m1/s1.
What are the key properties of (1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol?
(1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol has a molecular weight of 350.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5,6-bis(4-methoxyphenyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol is sourced from PubChem (CID 18436358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).