4-(3-butylphenyl)-2,6-dimethylphenol

C18H22O — CID 157070879

IUPAC4-(3-butylphenyl)-2,6-dimethylphenol
SMILESCCCCc1cccc(-c2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C18H22O/c1-4-5-7-15-8-6-9-16(12-15)17-10-13(2)18(19)14(3)11-17/h6,8-12,19H,4-5,7H2,1-3H3
InChIKeyHOCFDPPDBAGJQK-UHFFFAOYSA-N
MW254.37 g/mol
LogP5.02
Rot. Bonds4

About 4-(3-butylphenyl)-2,6-dimethylphenol

4-(3-butylphenyl)-2,6-dimethylphenol (PubChem CID 157070879) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(3-butylphenyl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(3-butylphenyl)-2,6-dimethylphenol
PubChem CID157070879
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name4-(3-butylphenyl)-2,6-dimethylphenol
SMILESCCCCc1cccc(-c2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C18H22O/c1-4-5-7-15-8-6-9-16(12-15)17-10-13(2)18(19)14(3)11-17/h6,8-12,19H,4-5,7H2,1-3H3
InChIKeyHOCFDPPDBAGJQK-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.37
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
CID 21020641
2,6-dimethyl-4-pentylphenol
CID 22625507
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
CID 174398804
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2,6-dimethyl-4-octadecylphenol
CID 66619575
acetaldehyde;1-methyl-3-(3-octylphenyl)benzene
CID 142319117
1,3-di(tetradecyl)benzene
CID 91053224
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
2-octylazulene
CID 101406191
1-butyl-2-(3-butylphenyl)benzene
CID 142022154

Frequently Asked Questions

What is the IUPAC name of 4-(3-butylphenyl)-2,6-dimethylphenol?
The IUPAC name of 4-(3-butylphenyl)-2,6-dimethylphenol (CID 157070879) is 4-(3-butylphenyl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(3-butylphenyl)-2,6-dimethylphenol?
The canonical SMILES for 4-(3-butylphenyl)-2,6-dimethylphenol is CCCCc1cccc(-c2cc(C)c(O)c(C)c2)c1.
What is the InChIKey of 4-(3-butylphenyl)-2,6-dimethylphenol?
The InChIKey is HOCFDPPDBAGJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-4-5-7-15-8-6-9-16(12-15)17-10-13(2)18(19)14(3)11-17/h6,8-12,19H,4-5,7H2,1-3H3.
What are the key properties of 4-(3-butylphenyl)-2,6-dimethylphenol?
4-(3-butylphenyl)-2,6-dimethylphenol has a molecular weight of 254.37 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butylphenyl)-2,6-dimethylphenol is sourced from PubChem (CID 157070879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).