14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol

C25H18O — CID 13358152

IUPAC14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
SMILESOC1(c2ccccc2)c2ccccc2-c2ccccc2-c2ccccc21
InChIInChI=1S/C25H18O/c26-25(18-10-2-1-3-11-18)23-16-8-6-14-21(23)19-12-4-5-13-20(19)22-15-7-9-17-24(22)25/h1-17,26H
InChIKeyMSUMEODKODALLH-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.62
Rot. Bonds1

About 14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol

14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol (PubChem CID 13358152) has the molecular formula C25H18O and a molecular weight of 334.42 g/mol. Its IUPAC name is 14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol.

Molecular Properties

Compound Name14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
PubChem CID13358152
Molecular FormulaC25H18O
Molecular Weight334.42 g/mol
Exact Mass334.14
IUPAC Name14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
SMILESOC1(c2ccccc2)c2ccccc2-c2ccccc2-c2ccccc21
InChIInChI=1S/C25H18O/c26-25(18-10-2-1-3-11-18)23-16-8-6-14-21(23)19-12-4-5-13-20(19)22-15-7-9-17-24(22)25/h1-17,26H
InChIKeyMSUMEODKODALLH-UHFFFAOYSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol?
The IUPAC name of 14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol (CID 13358152) is 14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol.
What is the SMILES notation for 14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol?
The canonical SMILES for 14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol is OC1(c2ccccc2)c2ccccc2-c2ccccc2-c2ccccc21.
What is the InChIKey of 14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol?
The InChIKey is MSUMEODKODALLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O/c26-25(18-10-2-1-3-11-18)23-16-8-6-14-21(23)19-12-4-5-13-20(19)22-15-7-9-17-24(22)25/h1-17,26H.
What are the key properties of 14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol?
14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol has a molecular weight of 334.42 g/mol, XLogP of 5.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol is sourced from PubChem (CID 13358152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).