4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene

C22H18O — CID 102258773

IUPAC4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
SMILESC(=C/c1cc2c(o1)CC1CC2c2ccccc21)\c1ccccc1
InChIInChI=1S/C22H18O/c1-2-6-15(7-3-1)10-11-17-14-21-20-12-16(13-22(21)23-17)18-8-4-5-9-19(18)20/h1-11,14,16,20H,12-13H2/b11-10+
InChIKeyKYGQLFHXASTHBQ-ZHACJKMWSA-N
MW298.39 g/mol
LogP5.63
Rot. Bonds2

About 4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene

4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene (PubChem CID 102258773) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
PubChem CID102258773
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
SMILESC(=C/c1cc2c(o1)CC1CC2c2ccccc21)\c1ccccc1
InChIInChI=1S/C22H18O/c1-2-6-15(7-3-1)10-11-17-14-21-20-12-16(13-22(21)23-17)18-8-4-5-9-19(18)20/h1-11,14,16,20H,12-13H2/b11-10+
InChIKeyKYGQLFHXASTHBQ-ZHACJKMWSA-N
XLogP5.63
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene with MolForge

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Related Compounds

2,6-bis[(E)-2-phenylethenyl]pyran-4-one
CID 6142827
tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one
CID 575764
1,3-dibromo-5-(2-phenylethenyl)benzene
CID 74389715
4-iodo-2-[(E)-2-phenylethenyl]furan
CID 11572944
4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene
CID 135024426
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2-[(E)-2-phenylethenyl]azulene
CID 12674002
3-[(Z)-2-phenylethenyl]isochromen-1-one
CID 10681992
2-chloro-5-[(E)-2-phenylethenyl]furan
CID 10845883
6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one
CID 11499910
disodium;hydride;(E)-stilbene
CID 173089328

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene?
The IUPAC name of 4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene (CID 102258773) is 4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene?
The canonical SMILES for 4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene is C(=C/c1cc2c(o1)CC1CC2c2ccccc21)\c1ccccc1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene?
The InChIKey is KYGQLFHXASTHBQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H18O/c1-2-6-15(7-3-1)10-11-17-14-21-20-12-16(13-22(21)23-17)18-8-4-5-9-19(18)20/h1-11,14,16,20H,12-13H2/b11-10+.
What are the key properties of 4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene?
4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene has a molecular weight of 298.39 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene is sourced from PubChem (CID 102258773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).