(4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene

C25H18O — CID 87857694

IUPAC(4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene
SMILESCOc1cccc2/c1=c1/cccc/c1=c1\cccc\c1=c1/cccc/c1=2
InChIInChI=1S/C25H18O/c1-26-24-16-8-15-23-21-12-5-4-11-19(21)17-9-2-3-10-18(17)20-13-6-7-14-22(20)25(23)24/h2-16H,1H3/b19-17-,20-18-,23-21-,25-22+
InChIKeyGWITWIGCAZJZOF-DPUUVDBZSA-N
MW334.42 g/mol
LogP5.16
Rot. Bonds1

About (4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene

(4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene (PubChem CID 87857694) has the molecular formula C25H18O and a molecular weight of 334.42 g/mol. Its IUPAC name is (4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene.

Molecular Properties

Compound Name(4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene
PubChem CID87857694
Molecular FormulaC25H18O
Molecular Weight334.42 g/mol
Exact Mass334.14
IUPAC Name(4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene
SMILESCOc1cccc2/c1=c1/cccc/c1=c1\cccc\c1=c1/cccc/c1=2
InChIInChI=1S/C25H18O/c1-26-24-16-8-15-23-21-12-5-4-11-19(21)17-9-2-3-10-18(17)20-13-6-7-14-22(20)25(23)24/h2-16H,1H3/b19-17-,20-18-,23-21-,25-22+
InChIKeyGWITWIGCAZJZOF-DPUUVDBZSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1)Benzopyrano(5,4,3-cde)(1)benzopyran
CID 6451338
(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene
CID 11257041
(4aZ,8aZ,12aZ,16aZ)-1,8,9,16-tetramethoxytetraphenylene
CID 101743118
(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 6536678
8-Lithio-1-methoxynaphthalene
CID 13417963
(1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
CID 15425792
(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene
CID 25188011
1,8-Dihydrochromeno[4,3-b]chromene
CID 123929196
Chromeno[8,7-h]chromene
CID 129740447
1-Methoxy-2,5-dihydropropenylbenzene
CID 129805432
2,7,10-Trimethoxytetraphenylene
CID 129807438
2,7-Dimethoxytetraphenylene
CID 129892392

Frequently Asked Questions

What is the IUPAC name of (4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene?
The IUPAC name of (4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene (CID 87857694) is (4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene.
What is the SMILES notation for (4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene?
The canonical SMILES for (4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene is COc1cccc2/c1=c1/cccc/c1=c1\cccc\c1=c1/cccc/c1=2.
What is the InChIKey of (4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene?
The InChIKey is GWITWIGCAZJZOF-DPUUVDBZSA-N. The full InChI is InChI=1S/C25H18O/c1-26-24-16-8-15-23-21-12-5-4-11-19(21)17-9-2-3-10-18(17)20-13-6-7-14-22(20)25(23)24/h2-16H,1H3/b19-17-,20-18-,23-21-,25-22+.
What are the key properties of (4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene?
(4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene has a molecular weight of 334.42 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene is sourced from PubChem (CID 87857694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).