6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene

C24H30O2 — CID 66652696

IUPAC6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene
SMILESCOc1ccc(C2Cc3ccc(OC)cc3C3CC(C)(C)CCC23)cc1
InChIInChI=1S/C24H30O2/c1-24(2)12-11-20-21(16-5-8-18(25-3)9-6-16)13-17-7-10-19(26-4)14-22(17)23(20)15-24/h5-10,14,20-21,23H,11-13,15H2,1-4H3
InChIKeyNFGNAGANXDXMAF-UHFFFAOYSA-N
MW350.50 g/mol
LogP5.95
Rot. Bonds3

About 6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene

6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene (PubChem CID 66652696) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene.

Molecular Properties

Compound Name6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene
PubChem CID66652696
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene
SMILESCOc1ccc(C2Cc3ccc(OC)cc3C3CC(C)(C)CCC23)cc1
InChIInChI=1S/C24H30O2/c1-24(2)12-11-20-21(16-5-8-18(25-3)9-6-16)13-17-7-10-19(26-4)14-22(17)23(20)15-24/h5-10,14,20-21,23H,11-13,15H2,1-4H3
InChIKeyNFGNAGANXDXMAF-UHFFFAOYSA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene?
The IUPAC name of 6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene (CID 66652696) is 6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene.
What is the SMILES notation for 6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene?
The canonical SMILES for 6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene is COc1ccc(C2Cc3ccc(OC)cc3C3CC(C)(C)CCC23)cc1.
What is the InChIKey of 6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene?
The InChIKey is NFGNAGANXDXMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-24(2)12-11-20-21(16-5-8-18(25-3)9-6-16)13-17-7-10-19(26-4)14-22(17)23(20)15-24/h5-10,14,20-21,23H,11-13,15H2,1-4H3.
What are the key properties of 6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene?
6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene has a molecular weight of 350.50 g/mol, XLogP of 5.95, 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)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene is sourced from PubChem (CID 66652696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).