2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol

C27H19ClO — CID 130260461

IUPAC2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
SMILESOC1(c2ccccc2-c2ccc(Cl)cc2)c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C27H19ClO/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/h1-18,29H
InChIKeyITCWZPPZRONXOU-UHFFFAOYSA-N
MW394.90 g/mol
LogP6.78
Rot. Bonds2

About 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol

2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol (PubChem CID 130260461) has the molecular formula C27H19ClO and a molecular weight of 394.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
PubChem CID130260461
Molecular FormulaC27H19ClO
Molecular Weight394.90 g/mol
Exact Mass394.11
IUPAC Name2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
SMILESOC1(c2ccccc2-c2ccc(Cl)cc2)c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C27H19ClO/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/h1-18,29H
InChIKeyITCWZPPZRONXOU-UHFFFAOYSA-N
XLogP6.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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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),3,5,7,9,11,13-heptaen-2-ol?
The IUPAC name of 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol (CID 130260461) is 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
The canonical SMILES for 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol is OC1(c2ccccc2-c2ccc(Cl)cc2)c2ccccc2C=Cc2ccccc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
The InChIKey is ITCWZPPZRONXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClO/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/h1-18,29H.
What are the key properties of 2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol has a molecular weight of 394.90 g/mol, XLogP of 6.78, 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),3,5,7,9,11,13-heptaen-2-ol is sourced from PubChem (CID 130260461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).