6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene

C23H26O2 — CID 66652038

IUPAC6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene
SMILESCOc1ccc(C2=C(C)c3ccc(OC)cc3C3CCCCC23)cc1
InChIInChI=1S/C23H26O2/c1-15-19-13-12-18(25-3)14-22(19)20-6-4-5-7-21(20)23(15)16-8-10-17(24-2)11-9-16/h8-14,20-21H,4-7H2,1-3H3
InChIKeyALMUFYLBQJWNTH-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.92
Rot. Bonds3

About 6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene

6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene (PubChem CID 66652038) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene.

Molecular Properties

Compound Name6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene
PubChem CID66652038
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene
SMILESCOc1ccc(C2=C(C)c3ccc(OC)cc3C3CCCCC23)cc1
InChIInChI=1S/C23H26O2/c1-15-19-13-12-18(25-3)14-22(19)20-6-4-5-7-21(20)23(15)16-8-10-17(24-2)11-9-16/h8-14,20-21H,4-7H2,1-3H3
InChIKeyALMUFYLBQJWNTH-UHFFFAOYSA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene?
The IUPAC name of 6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene (CID 66652038) is 6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene.
What is the SMILES notation for 6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene?
The canonical SMILES for 6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene is COc1ccc(C2=C(C)c3ccc(OC)cc3C3CCCCC23)cc1.
What is the InChIKey of 6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene?
The InChIKey is ALMUFYLBQJWNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O2/c1-15-19-13-12-18(25-3)14-22(19)20-6-4-5-7-21(20)23(15)16-8-10-17(24-2)11-9-16/h8-14,20-21H,4-7H2,1-3H3.
What are the key properties of 6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene?
6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene has a molecular weight of 334.46 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene is sourced from PubChem (CID 66652038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).