9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

C27H30O5 — CID 71028115

IUPAC9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESCOc1ccc2c(c1)Cc1cc(OC)cc(OC)c1C(c1cc(OC)cc(OC)c1C)C2
InChIInChI=1S/C27H30O5/c1-16-23(13-22(30-4)14-25(16)31-5)24-12-17-7-8-20(28-2)10-18(17)9-19-11-21(29-3)15-26(32-6)27(19)24/h7-8,10-11,13-15,24H,9,12H2,1-6H3
InChIKeyLRPMFLBUIYRIPN-UHFFFAOYSA-N
MW434.53 g/mol
LogP5.32
Rot. Bonds6

About 9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (PubChem CID 71028115) has the molecular formula C27H30O5 and a molecular weight of 434.53 g/mol. Its IUPAC name is 9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.

Molecular Properties

Compound Name9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
PubChem CID71028115
Molecular FormulaC27H30O5
Molecular Weight434.53 g/mol
Exact Mass434.21
IUPAC Name9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESCOc1ccc2c(c1)Cc1cc(OC)cc(OC)c1C(c1cc(OC)cc(OC)c1C)C2
InChIInChI=1S/C27H30O5/c1-16-23(13-22(30-4)14-25(16)31-5)24-12-17-7-8-20(28-2)10-18(17)9-19-11-21(29-3)15-26(32-6)27(19)24/h7-8,10-11,13-15,24H,9,12H2,1-6H3
InChIKeyLRPMFLBUIYRIPN-UHFFFAOYSA-N
XLogP5.32
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.53
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone
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2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene
CID 22970361
(10R)-10-(3,4-dimethoxyphenyl)-4,6,12,14-tetramethoxy-2-[(4-methoxyphenyl)methylsulfonyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
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3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
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CID 115511146
5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene
CID 20537552
(2S,10S)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol
CID 57413227
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Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The IUPAC name of 9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (CID 71028115) is 9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.
What is the SMILES notation for 9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The canonical SMILES for 9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is COc1ccc2c(c1)Cc1cc(OC)cc(OC)c1C(c1cc(OC)cc(OC)c1C)C2.
What is the InChIKey of 9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The InChIKey is LRPMFLBUIYRIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O5/c1-16-23(13-22(30-4)14-25(16)31-5)24-12-17-7-8-20(28-2)10-18(17)9-19-11-21(29-3)15-26(32-6)27(19)24/h7-8,10-11,13-15,24H,9,12H2,1-6H3.
What are the key properties of 9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene has a molecular weight of 434.53 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is sourced from PubChem (CID 71028115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).