4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene

C21H24O4 — CID 151156491

IUPAC4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene
SMILESCOc1cc(C2=CCCCc3cccc(OC)c32)cc(OC)c1OC
InChIInChI=1S/C21H24O4/c1-22-17-11-7-9-14-8-5-6-10-16(20(14)17)15-12-18(23-2)21(25-4)19(13-15)24-3/h7,9-13H,5-6,8H2,1-4H3
InChIKeyMZIVDCVQCVAPEC-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.49
Rot. Bonds5

About 4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene

4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene (PubChem CID 151156491) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene.

Molecular Properties

Compound Name4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene
PubChem CID151156491
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene
SMILESCOc1cc(C2=CCCCc3cccc(OC)c32)cc(OC)c1OC
InChIInChI=1S/C21H24O4/c1-22-17-11-7-9-14-8-5-6-10-16(20(14)17)15-12-18(23-2)21(25-4)19(13-15)24-3/h7,9-13H,5-6,8H2,1-4H3
InChIKeyMZIVDCVQCVAPEC-UHFFFAOYSA-N
XLogP4.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 134143066
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene
CID 14816261
11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene
CID 14737390
4-(cyclopenten-1-yl)-1,2-dimethoxybenzene
CID 71373642
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
1-chloro-3,4,5-trimethoxy-9H-fluorene
CID 151569744
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057450
[(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95225144
4,13,22-trimethoxyheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 10694042
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene?
The IUPAC name of 4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene (CID 151156491) is 4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene.
What is the SMILES notation for 4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene?
The canonical SMILES for 4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene is COc1cc(C2=CCCCc3cccc(OC)c32)cc(OC)c1OC.
What is the InChIKey of 4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene?
The InChIKey is MZIVDCVQCVAPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-22-17-11-7-9-14-8-5-6-10-16(20(14)17)15-12-18(23-2)21(25-4)19(13-15)24-3/h7,9-13H,5-6,8H2,1-4H3.
What are the key properties of 4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene?
4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene has a molecular weight of 340.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene is sourced from PubChem (CID 151156491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).