3-butyl-2-methyl-4-phenylphenol

C17H20O — CID 68552702

IUPAC3-butyl-2-methyl-4-phenylphenol
SMILESCCCCc1c(-c2ccccc2)ccc(O)c1C
InChIInChI=1S/C17H20O/c1-3-4-10-15-13(2)17(18)12-11-16(15)14-8-6-5-7-9-14/h5-9,11-12,18H,3-4,10H2,1-2H3
InChIKeyDBAMMODPEGSDAX-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.71
Rot. Bonds4

About 3-butyl-2-methyl-4-phenylphenol

3-butyl-2-methyl-4-phenylphenol (PubChem CID 68552702) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-butyl-2-methyl-4-phenylphenol.

Molecular Properties

Compound Name3-butyl-2-methyl-4-phenylphenol
PubChem CID68552702
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name3-butyl-2-methyl-4-phenylphenol
SMILESCCCCc1c(-c2ccccc2)ccc(O)c1C
InChIInChI=1S/C17H20O/c1-3-4-10-15-13(2)17(18)12-11-16(15)14-8-6-5-7-9-14/h5-9,11-12,18H,3-4,10H2,1-2H3
InChIKeyDBAMMODPEGSDAX-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hexyl-4-phenylbenzene-1,3-diol
CID 23109189
2,5-dibutyl-3-phenylphenol
CID 122215941
2,3-dimethyl-4-phenylphenol
CID 57091246
2-butyl-3-methyl-4-phenylbenzoic acid
CID 175125661
1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene
CID 150071734
2-methyl-3-octylbenzene-1,4-diol
CID 67742656
2-(3-butyl-4-phenylphenyl)phenol
CID 174552804
4-pentyl-2-phenylphenol
CID 154147556
2-butyl-3-methylphenol;2,3-dimethylphenol
CID 67848527
2,4-diphenyl-3-(9-phenylnonyl)phenol
CID 175082705
1,1'-biphenyl;ethanol;2-phenylphenol
CID 90025475
2-butyl-4-phenyl-3-sulfamoylbenzoic acid
CID 174756984

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methyl-4-phenylphenol?
The IUPAC name of 3-butyl-2-methyl-4-phenylphenol (CID 68552702) is 3-butyl-2-methyl-4-phenylphenol.
What is the SMILES notation for 3-butyl-2-methyl-4-phenylphenol?
The canonical SMILES for 3-butyl-2-methyl-4-phenylphenol is CCCCc1c(-c2ccccc2)ccc(O)c1C.
What is the InChIKey of 3-butyl-2-methyl-4-phenylphenol?
The InChIKey is DBAMMODPEGSDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-3-4-10-15-13(2)17(18)12-11-16(15)14-8-6-5-7-9-14/h5-9,11-12,18H,3-4,10H2,1-2H3.
What are the key properties of 3-butyl-2-methyl-4-phenylphenol?
3-butyl-2-methyl-4-phenylphenol has a molecular weight of 240.35 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methyl-4-phenylphenol is sourced from PubChem (CID 68552702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).