4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol

C23H25ClO — CID 157022492

IUPAC4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol
SMILESOc1c(-c2ccccc2)cc(Cl)cc1C1CC2CC1C1CCCCC21
InChIInChI=1S/C23H25ClO/c24-16-12-19(14-6-2-1-3-7-14)23(25)22(13-16)21-11-15-10-20(21)18-9-5-4-8-17(15)18/h1-3,6-7,12-13,15,17-18,20-21,25H,4-5,8-11H2
InChIKeyYDWAAGDHHRRSGF-UHFFFAOYSA-N
MW352.90 g/mol
LogP6.64
Rot. Bonds2

About 4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol

4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol (PubChem CID 157022492) has the molecular formula C23H25ClO and a molecular weight of 352.90 g/mol. Its IUPAC name is 4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol.

Molecular Properties

Compound Name4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol
PubChem CID157022492
Molecular FormulaC23H25ClO
Molecular Weight352.90 g/mol
Exact Mass352.16
IUPAC Name4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol
SMILESOc1c(-c2ccccc2)cc(Cl)cc1C1CC2CC1C1CCCCC21
InChIInChI=1S/C23H25ClO/c24-16-12-19(14-6-2-1-3-7-14)23(25)22(13-16)21-11-15-10-20(21)18-9-5-4-8-17(15)18/h1-3,6-7,12-13,15,17-18,20-21,25H,4-5,8-11H2
InChIKeyYDWAAGDHHRRSGF-UHFFFAOYSA-N
XLogP6.64
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 ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-cyclododecyl-6-phenylphenol
CID 157022495
4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol
CID 166680354
2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol
CID 158976886
4-bromo-2-cyclopentyl-6-phenylphenol
CID 157022496
2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-phenylphenol;4-(2-bicyclo[2.2.1]heptanyl)-2-cyclohexyl-6-phenylphenol;2-cyclohexyl-4-cyclooctyl-6-phenylphenol;4-cyclohexyl-2-cyclooctyl-6-phenylphenol;2-phenyl-4,6-bis(4-tricyclo[6.2.1.02,7]undecanyl)phenol
CID 158689824
5-chloro-2-hydroxy-3-phenylbenzaldehyde
CID 10955442
4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol
CID 15267343
1,2-dimethanidylcyclohexane;bis(2,3,5,6-tetraphenylphenol);titanium(2+)
CID 134902738
2-cyclopentyl-1,4-diphenylnaphthalene
CID 15981874
2-[8-(2-hydroxyphenyl)-4-tricyclo[5.2.1.02,6]decanyl]phenol
CID 70661876
6-chloro-2,3-diphenylphenol
CID 174572078
8-tricyclo[5.2.1.02,6]decanyl benzoate
CID 4024084

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol?
The IUPAC name of 4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol (CID 157022492) is 4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol.
What is the SMILES notation for 4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol?
The canonical SMILES for 4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol is Oc1c(-c2ccccc2)cc(Cl)cc1C1CC2CC1C1CCCCC21.
What is the InChIKey of 4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol?
The InChIKey is YDWAAGDHHRRSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClO/c24-16-12-19(14-6-2-1-3-7-14)23(25)22(13-16)21-11-15-10-20(21)18-9-5-4-8-17(15)18/h1-3,6-7,12-13,15,17-18,20-21,25H,4-5,8-11H2.
What are the key properties of 4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol?
4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol has a molecular weight of 352.90 g/mol, XLogP of 6.64, 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-(9-tricyclo[6.2.1.02,7]undecanyl)phenol is sourced from PubChem (CID 157022492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).