10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

C30H20O2 — CID 118145501

IUPAC10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESC=C1/C=C\C(c2ccc3c(c2)-c2ccccc2-c2ccccc2O3)=C/Oc2ccccc21
InChIInChI=1S/C30H20O2/c1-20-14-15-22(19-31-28-12-6-4-8-23(20)28)21-16-17-30-27(18-21)25-10-3-2-9-24(25)26-11-5-7-13-29(26)32-30/h2-19H,1H2/b15-14-,22-19+
InChIKeyOJRAGCNMDTZFNK-UYKSSKRLSA-N
MW412.49 g/mol
LogP8.13
Rot. Bonds1

About 10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (PubChem CID 118145501) has the molecular formula C30H20O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

Molecular Properties

Compound Name10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
PubChem CID118145501
Molecular FormulaC30H20O2
Molecular Weight412.49 g/mol
Exact Mass412.15
IUPAC Name10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESC=C1/C=C\C(c2ccc3c(c2)-c2ccccc2-c2ccccc2O3)=C/Oc2ccccc21
InChIInChI=1S/C30H20O2/c1-20-14-15-22(19-31-28-12-6-4-8-23(20)28)21-16-17-30-27(18-21)25-10-3-2-9-24(25)26-11-5-7-13-29(26)32-30/h2-19H,1H2/b15-14-,22-19+
InChIKeyOJRAGCNMDTZFNK-UYKSSKRLSA-N
XLogP8.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The IUPAC name of 10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (CID 118145501) is 10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.
What is the SMILES notation for 10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The canonical SMILES for 10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is C=C1/C=C\C(c2ccc3c(c2)-c2ccccc2-c2ccccc2O3)=C/Oc2ccccc21.
What is the InChIKey of 10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The InChIKey is OJRAGCNMDTZFNK-UYKSSKRLSA-N. The full InChI is InChI=1S/C30H20O2/c1-20-14-15-22(19-31-28-12-6-4-8-23(20)28)21-16-17-30-27(18-21)25-10-3-2-9-24(25)26-11-5-7-13-29(26)32-30/h2-19H,1H2/b15-14-,22-19+.
What are the key properties of 10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene has a molecular weight of 412.49 g/mol, XLogP of 8.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2E,4Z)-6-methylidene-1-benzoxocin-3-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 118145501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).