2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol

C27H21ClO — CID 142556602

IUPAC2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
SMILESOC1(c2ccccc2-c2ccc(Cl)cc2)c2ccccc2CCc2ccccc21
InChIInChI=1S/C27H21ClO/c28-22-17-15-19(16-18-22)23-9-3-6-12-26(23)27(29)24-10-4-1-7-20(24)13-14-21-8-2-5-11-25(21)27/h1-12,15-18,29H,13-14H2
InChIKeyPMNDVHWLVGAHQL-UHFFFAOYSA-N
MW396.92 g/mol
LogP6.39
Rot. Bonds2

About 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol

2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol (PubChem CID 142556602) has the molecular formula C27H21ClO and a molecular weight of 396.92 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
PubChem CID142556602
Molecular FormulaC27H21ClO
Molecular Weight396.92 g/mol
Exact Mass396.13
IUPAC Name2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
SMILESOC1(c2ccccc2-c2ccc(Cl)cc2)c2ccccc2CCc2ccccc21
InChIInChI=1S/C27H21ClO/c28-22-17-15-19(16-18-22)23-9-3-6-12-26(23)27(29)24-10-4-1-7-20(24)13-14-21-8-2-5-11-25(21)27/h1-12,15-18,29H,13-14H2
InChIKeyPMNDVHWLVGAHQL-UHFFFAOYSA-N
XLogP6.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
The IUPAC name of 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol (CID 142556602) is 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
The canonical SMILES for 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol is OC1(c2ccccc2-c2ccc(Cl)cc2)c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
The InChIKey is PMNDVHWLVGAHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClO/c28-22-17-15-19(16-18-22)23-9-3-6-12-26(23)27(29)24-10-4-1-7-20(24)13-14-21-8-2-5-11-25(21)27/h1-12,15-18,29H,13-14H2.
What are the key properties of 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol has a molecular weight of 396.92 g/mol, XLogP of 6.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol is sourced from PubChem (CID 142556602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).