4-chloro-2-cyclododecyl-6-phenylphenol

C24H31ClO — CID 157022495

IUPAC4-chloro-2-cyclododecyl-6-phenylphenol
SMILESOc1c(-c2ccccc2)cc(Cl)cc1C1CCCCCCCCCCC1
InChIInChI=1S/C24H31ClO/c25-21-17-22(24(26)23(18-21)20-15-11-8-12-16-20)19-13-9-6-4-2-1-3-5-7-10-14-19/h8,11-12,15-19,26H,1-7,9-10,13-14H2
InChIKeyQQFBFXGPMDLMTH-UHFFFAOYSA-N
MW370.96 g/mol
LogP8.10
Rot. Bonds2

About 4-chloro-2-cyclododecyl-6-phenylphenol

4-chloro-2-cyclododecyl-6-phenylphenol (PubChem CID 157022495) has the molecular formula C24H31ClO and a molecular weight of 370.96 g/mol. Its IUPAC name is 4-chloro-2-cyclododecyl-6-phenylphenol.

Molecular Properties

Compound Name4-chloro-2-cyclododecyl-6-phenylphenol
PubChem CID157022495
Molecular FormulaC24H31ClO
Molecular Weight370.96 g/mol
Exact Mass370.21
IUPAC Name4-chloro-2-cyclododecyl-6-phenylphenol
SMILESOc1c(-c2ccccc2)cc(Cl)cc1C1CCCCCCCCCCC1
InChIInChI=1S/C24H31ClO/c25-21-17-22(24(26)23(18-21)20-15-11-8-12-16-20)19-13-9-6-4-2-1-3-5-7-10-14-19/h8,11-12,15-19,26H,1-7,9-10,13-14H2
InChIKeyQQFBFXGPMDLMTH-UHFFFAOYSA-N
XLogP8.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.96
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
4-chloro-2-phenyl-6-(9-tricyclo[6.2.1.02,7]undecanyl)phenol
CID 157022492
2-cyclopentyl-1,4-diphenylnaphthalene
CID 15981874
2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione
CID 142748984
1,2-dimethanidylcyclohexane;bis(2,3,5,6-tetraphenylphenol);titanium(2+)
CID 134902738
1-cyclobutyl-2-phenylbenzene
CID 23453799
4-chloro-2-phenyl-6-(1-tricyclo[6.2.1.02,7]undecanyl)phenol
CID 166680354
2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane
CID 174887026
(2R)-1-[(5-chloro-3-cyclohexyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 141417313
5-chloro-2-hydroxy-3-phenylbenzaldehyde
CID 10955442
3-cyclohexyl-2,5-diphenyl-1H-pyrrole
CID 13223945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclododecyl-6-phenylphenol?
The IUPAC name of 4-chloro-2-cyclododecyl-6-phenylphenol (CID 157022495) is 4-chloro-2-cyclododecyl-6-phenylphenol.
What is the SMILES notation for 4-chloro-2-cyclododecyl-6-phenylphenol?
The canonical SMILES for 4-chloro-2-cyclododecyl-6-phenylphenol is Oc1c(-c2ccccc2)cc(Cl)cc1C1CCCCCCCCCCC1.
What is the InChIKey of 4-chloro-2-cyclododecyl-6-phenylphenol?
The InChIKey is QQFBFXGPMDLMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClO/c25-21-17-22(24(26)23(18-21)20-15-11-8-12-16-20)19-13-9-6-4-2-1-3-5-7-10-14-19/h8,11-12,15-19,26H,1-7,9-10,13-14H2.
What are the key properties of 4-chloro-2-cyclododecyl-6-phenylphenol?
4-chloro-2-cyclododecyl-6-phenylphenol has a molecular weight of 370.96 g/mol, XLogP of 8.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclododecyl-6-phenylphenol is sourced from PubChem (CID 157022495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).