4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol

C23H25ClO — CID 166680354

IUPAC4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol
SMILESOc1c(-c2ccccc2)cc(Cl)cc1C12CCC(C1)C1CCCCC12
InChIInChI=1S/C23H25ClO/c24-17-12-19(15-6-2-1-3-7-15)22(25)21(13-17)23-11-10-16(14-23)18-8-4-5-9-20(18)23/h1-3,6-7,12-13,16,18,20,25H,4-5,8-11,14H2
InChIKeyINZAYIXYETVQTH-UHFFFAOYSA-N
MW352.90 g/mol
LogP6.57
Rot. Bonds2

About 4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol

4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol (PubChem CID 166680354) has the molecular formula C23H25ClO and a molecular weight of 352.90 g/mol. Its IUPAC name is 4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol.

Molecular Properties

Compound Name4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol
PubChem CID166680354
Molecular FormulaC23H25ClO
Molecular Weight352.90 g/mol
Exact Mass352.16
IUPAC Name4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol
SMILESOc1c(-c2ccccc2)cc(Cl)cc1C12CCC(C1)C1CCCCC12
InChIInChI=1S/C23H25ClO/c24-17-12-19(15-6-2-1-3-7-15)22(25)21(13-17)23-11-10-16(14-23)18-8-4-5-9-20(18)23/h1-3,6-7,12-13,16,18,20,25H,4-5,8-11,14H2
InChIKeyINZAYIXYETVQTH-UHFFFAOYSA-N
XLogP6.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.90
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol?
The IUPAC name of 4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol (CID 166680354) is 4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol.
What is the SMILES notation for 4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol?
The canonical SMILES for 4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol is Oc1c(-c2ccccc2)cc(Cl)cc1C12CCC(C1)C1CCCCC12.
What is the InChIKey of 4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol?
The InChIKey is INZAYIXYETVQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClO/c24-17-12-19(15-6-2-1-3-7-15)22(25)21(13-17)23-11-10-16(14-23)18-8-4-5-9-20(18)23/h1-3,6-7,12-13,16,18,20,25H,4-5,8-11,14H2.
What are the key properties of 4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol?
4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol has a molecular weight of 352.90 g/mol, XLogP of 6.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol is sourced from PubChem (CID 166680354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).