4-[4-(4-butylphenyl)-3-methylphenyl]phenol

C23H24O — CID 71093934

IUPAC4-[4-(4-butylphenyl)-3-methylphenyl]phenol
SMILESCCCCc1ccc(-c2ccc(-c3ccc(O)cc3)cc2C)cc1
InChIInChI=1S/C23H24O/c1-3-4-5-18-6-8-20(9-7-18)23-15-12-21(16-17(23)2)19-10-13-22(24)14-11-19/h6-16,24H,3-5H2,1-2H3
InChIKeyDJTFXBYJFQVCHY-UHFFFAOYSA-N
MW316.44 g/mol
LogP6.38
Rot. Bonds5

About 4-[4-(4-butylphenyl)-3-methylphenyl]phenol

4-[4-(4-butylphenyl)-3-methylphenyl]phenol (PubChem CID 71093934) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-[4-(4-butylphenyl)-3-methylphenyl]phenol.

Molecular Properties

Compound Name4-[4-(4-butylphenyl)-3-methylphenyl]phenol
PubChem CID71093934
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name4-[4-(4-butylphenyl)-3-methylphenyl]phenol
SMILESCCCCc1ccc(-c2ccc(-c3ccc(O)cc3)cc2C)cc1
InChIInChI=1S/C23H24O/c1-3-4-5-18-6-8-20(9-7-18)23-15-12-21(16-17(23)2)19-10-13-22(24)14-11-19/h6-16,24H,3-5H2,1-2H3
InChIKeyDJTFXBYJFQVCHY-UHFFFAOYSA-N
XLogP6.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene
CID 159588973
1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene
CID 126599984
4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene
CID 126599983
3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol
CID 139457480
[3-methyl-4-(4-pentylphenyl)phenyl]methanol
CID 134271046
1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
CID 158517315
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
CID 174398804
4-butylphenol;tungsten
CID 174758928
4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174345319
4-(3,5-dibutylphenyl)phenol
CID 175464122
4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
lithium;4-butylphenol;hydride
CID 174758234

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-butylphenyl)-3-methylphenyl]phenol?
The IUPAC name of 4-[4-(4-butylphenyl)-3-methylphenyl]phenol (CID 71093934) is 4-[4-(4-butylphenyl)-3-methylphenyl]phenol.
What is the SMILES notation for 4-[4-(4-butylphenyl)-3-methylphenyl]phenol?
The canonical SMILES for 4-[4-(4-butylphenyl)-3-methylphenyl]phenol is CCCCc1ccc(-c2ccc(-c3ccc(O)cc3)cc2C)cc1.
What is the InChIKey of 4-[4-(4-butylphenyl)-3-methylphenyl]phenol?
The InChIKey is DJTFXBYJFQVCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c1-3-4-5-18-6-8-20(9-7-18)23-15-12-21(16-17(23)2)19-10-13-22(24)14-11-19/h6-16,24H,3-5H2,1-2H3.
What are the key properties of 4-[4-(4-butylphenyl)-3-methylphenyl]phenol?
4-[4-(4-butylphenyl)-3-methylphenyl]phenol has a molecular weight of 316.44 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-butylphenyl)-3-methylphenyl]phenol is sourced from PubChem (CID 71093934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).