15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene

C25H24O — CID 132569222

IUPAC15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
SMILESCOc1ccc(C2C(C)C3c4ccccc4C2(C)c2ccccc23)cc1
InChIInChI=1S/C25H24O/c1-16-23-19-8-4-6-10-21(19)25(2,22-11-7-5-9-20(22)23)24(16)17-12-14-18(26-3)15-13-17/h4-16,23-24H,1-3H3
InChIKeyLEYBVWAKXQFHNY-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.88
Rot. Bonds2

About 15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene

15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene (PubChem CID 132569222) has the molecular formula C25H24O and a molecular weight of 340.47 g/mol. Its IUPAC name is 15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene.

Molecular Properties

Compound Name15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
PubChem CID132569222
Molecular FormulaC25H24O
Molecular Weight340.47 g/mol
Exact Mass340.18
IUPAC Name15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
SMILESCOc1ccc(C2C(C)C3c4ccccc4C2(C)c2ccccc23)cc1
InChIInChI=1S/C25H24O/c1-16-23-19-8-4-6-10-21(19)25(2,22-11-7-5-9-20(22)23)24(16)17-12-14-18(26-3)15-13-17/h4-16,23-24H,1-3H3
InChIKeyLEYBVWAKXQFHNY-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The IUPAC name of 15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene (CID 132569222) is 15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene.
What is the SMILES notation for 15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The canonical SMILES for 15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene is COc1ccc(C2C(C)C3c4ccccc4C2(C)c2ccccc23)cc1.
What is the InChIKey of 15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The InChIKey is LEYBVWAKXQFHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O/c1-16-23-19-8-4-6-10-21(19)25(2,22-11-7-5-9-20(22)23)24(16)17-12-14-18(26-3)15-13-17/h4-16,23-24H,1-3H3.
What are the key properties of 15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene has a molecular weight of 340.47 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene is sourced from PubChem (CID 132569222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).