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

C24H28O2 — CID 66652030

IUPAC6-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-3,4,4a,10a-tetrahydro-1H-phenanthrene
SMILESCOc1ccc(C2=Cc3ccc(OC)cc3C3CCC(C)(C)CC23)cc1
InChIInChI=1S/C24H28O2/c1-24(2)12-11-20-22-14-19(26-4)10-7-17(22)13-21(23(20)15-24)16-5-8-18(25-3)9-6-16/h5-10,13-14,20,23H,11-12,15H2,1-4H3
InChIKeyCVVWEBSKFNYJOK-UHFFFAOYSA-N
MW348.49 g/mol
LogP6.17
Rot. Bonds3

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

6-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-3,4,4a,10a-tetrahydro-1H-phenanthrene (PubChem CID 66652030) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 6-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-3,4,4a,10a-tetrahydro-1H-phenanthrene.

Molecular Properties

Compound Name6-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-3,4,4a,10a-tetrahydro-1H-phenanthrene
PubChem CID66652030
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name6-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-3,4,4a,10a-tetrahydro-1H-phenanthrene
SMILESCOc1ccc(C2=Cc3ccc(OC)cc3C3CCC(C)(C)CC23)cc1
InChIInChI=1S/C24H28O2/c1-24(2)12-11-20-22-14-19(26-4)10-7-17(22)13-21(23(20)15-24)16-5-8-18(25-3)9-6-16/h5-10,13-14,20,23H,11-12,15H2,1-4H3
InChIKeyCVVWEBSKFNYJOK-UHFFFAOYSA-N
XLogP6.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-4-(4-methoxyphenyl)-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalene
CID 66651897
(4aR,10aS)-10-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,2,3,4,4a,10a-hexahydrophenanthrene
CID 59504317
6-methoxy-10-(4-methoxyphenyl)-3,3-dimethyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthrene
CID 66652696
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene
CID 66652038
(4bS,8aS)-2-methoxy-6,6-dimethyl-4b,5,7,8,9,10-hexahydrophenanthrene-8a-carboxylate
CID 9437111
(8R,9S,13S)-3-methoxy-13-methyl-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
CID 10869758
(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837765
7-methoxy-3-(4-methoxyphenyl)-2H-chromene
CID 58678829
N-(3,3-dimethylcyclopentyl)-2-hydroxy-4-methoxybenzamide
CID 115881718
(8S,9S,13R,14S,17S)-3-methoxy-13,17-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 59630580
1-hydroxy-6-methoxy-1H-indene-2-carbaldehyde
CID 121221275

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-3,4,4a,10a-tetrahydro-1H-phenanthrene?
The IUPAC name of 6-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-3,4,4a,10a-tetrahydro-1H-phenanthrene (CID 66652030) is 6-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-3,4,4a,10a-tetrahydro-1H-phenanthrene.
What is the SMILES notation for 6-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-3,4,4a,10a-tetrahydro-1H-phenanthrene?
The canonical SMILES for 6-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-3,4,4a,10a-tetrahydro-1H-phenanthrene is COc1ccc(C2=Cc3ccc(OC)cc3C3CCC(C)(C)CC23)cc1.
What is the InChIKey of 6-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-3,4,4a,10a-tetrahydro-1H-phenanthrene?
The InChIKey is CVVWEBSKFNYJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-24(2)12-11-20-22-14-19(26-4)10-7-17(22)13-21(23(20)15-24)16-5-8-18(25-3)9-6-16/h5-10,13-14,20,23H,11-12,15H2,1-4H3.
What are the key properties of 6-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-3,4,4a,10a-tetrahydro-1H-phenanthrene?
6-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-3,4,4a,10a-tetrahydro-1H-phenanthrene has a molecular weight of 348.49 g/mol, XLogP of 6.17, 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)-2,2-dimethyl-3,4,4a,10a-tetrahydro-1H-phenanthrene is sourced from PubChem (CID 66652030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).