2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol

C22H29ClO — CID 140982124

IUPAC2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol
SMILESCCCCc1cc(-c2ccc(Cl)cc2)c(O)c(CCCC)c1CC
InChIInChI=1S/C22H29ClO/c1-4-7-9-17-15-21(16-11-13-18(23)14-12-16)22(24)20(10-8-5-2)19(17)6-3/h11-15,24H,4-10H2,1-3H3
InChIKeyIWYVYVZCNXGKPJ-UHFFFAOYSA-N
MW344.93 g/mol
LogP6.96
Rot. Bonds8

About 2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol

2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol (PubChem CID 140982124) has the molecular formula C22H29ClO and a molecular weight of 344.93 g/mol. Its IUPAC name is 2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol.

Molecular Properties

Compound Name2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol
PubChem CID140982124
Molecular FormulaC22H29ClO
Molecular Weight344.93 g/mol
Exact Mass344.19
IUPAC Name2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol
SMILESCCCCc1cc(-c2ccc(Cl)cc2)c(O)c(CCCC)c1CC
InChIInChI=1S/C22H29ClO/c1-4-7-9-17-15-21(16-11-13-18(23)14-12-16)22(24)20(10-8-5-2)19(17)6-3/h11-15,24H,4-10H2,1-3H3
InChIKeyIWYVYVZCNXGKPJ-UHFFFAOYSA-N
XLogP6.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.93
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-4-nonyl-2,6-diphenylphenol
CID 174697041
4-butyl-3,5-dipentylbenzene-1,2-diol
CID 87876480
2-butyl-6-(4-chlorophenyl)aniline;hydrochloride
CID 174513315
2-butyl-4-chlorophenol;4-chloro-2-methylphenol
CID 69346609
1,3-dibutyl-2-(4-chlorophenyl)naphthalene
CID 174415687
3-butyl-6-methyl-4-pentylbenzene-1,2-diol
CID 87875378
5-butyl-4-pentyl-3-propylbenzene-1,2-diol
CID 87874763
1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene
CID 150071734
2-butyl-3-(4-chlorophenyl)aniline
CID 123586826
2,3,4-tributyl-6-(3,4,5-tributyl-2-hydroxyphenoxy)phenol
CID 177309933
2-ethyl-4-methyl-6-octylbenzene-1,3-diol
CID 154087783
4-butyl-5-ethyl-3-pentylbenzene-1,2-diol
CID 87875373

Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol?
The IUPAC name of 2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol (CID 140982124) is 2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol.
What is the SMILES notation for 2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol?
The canonical SMILES for 2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol is CCCCc1cc(-c2ccc(Cl)cc2)c(O)c(CCCC)c1CC.
What is the InChIKey of 2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol?
The InChIKey is IWYVYVZCNXGKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClO/c1-4-7-9-17-15-21(16-11-13-18(23)14-12-16)22(24)20(10-8-5-2)19(17)6-3/h11-15,24H,4-10H2,1-3H3.
What are the key properties of 2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol?
2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol has a molecular weight of 344.93 g/mol, XLogP of 6.96, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol is sourced from PubChem (CID 140982124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).