4-methyl-3-propan-2-yl-2-propylphenol

C13H20O — CID 143280508

IUPAC4-methyl-3-propan-2-yl-2-propylphenol
SMILESCCCc1c(O)ccc(C)c1C(C)C
InChIInChI=1S/C13H20O/c1-5-6-11-12(14)8-7-10(4)13(11)9(2)3/h7-9,14H,5-6H2,1-4H3
InChIKeyXLJFNOHWYKPMHV-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.78
Rot. Bonds3

About 4-methyl-3-propan-2-yl-2-propylphenol

4-methyl-3-propan-2-yl-2-propylphenol (PubChem CID 143280508) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-2-propylphenol.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-2-propylphenol
PubChem CID143280508
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-methyl-3-propan-2-yl-2-propylphenol
SMILESCCCc1c(O)ccc(C)c1C(C)C
InChIInChI=1S/C13H20O/c1-5-6-11-12(14)8-7-10(4)13(11)9(2)3/h7-9,14H,5-6H2,1-4H3
InChIKeyXLJFNOHWYKPMHV-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone
CID 54305592
2-heptyl-4-methyl-3-propylphenol
CID 66865859
3-butyl-4-chloro-2-propan-2-ylphenol
CID 118092044
6-ethyl-3-methyl-2-propan-2-ylphenol
CID 89393245
3-fluoro-2-propan-2-yl-4,5-dipropylphenol
CID 176695979
2,3-bis(1-hydroxyethyl)-4-methylphenol
CID 22486739
2,3-dihexylbenzene-1,4-diol
CID 69329716
2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
CID 159775903
2-ethyl-4-methylbenzene-1,3-diol
CID 66591823
3-ethyl-4-methyl-2-nonylphenol
CID 66865942
2-pentyl-3,4-dipropylphenol
CID 66866454
2-butyl-3-methylphenol
CID 174788119

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-2-propylphenol?
The IUPAC name of 4-methyl-3-propan-2-yl-2-propylphenol (CID 143280508) is 4-methyl-3-propan-2-yl-2-propylphenol.
What is the SMILES notation for 4-methyl-3-propan-2-yl-2-propylphenol?
The canonical SMILES for 4-methyl-3-propan-2-yl-2-propylphenol is CCCc1c(O)ccc(C)c1C(C)C.
What is the InChIKey of 4-methyl-3-propan-2-yl-2-propylphenol?
The InChIKey is XLJFNOHWYKPMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-6-11-12(14)8-7-10(4)13(11)9(2)3/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 4-methyl-3-propan-2-yl-2-propylphenol?
4-methyl-3-propan-2-yl-2-propylphenol has a molecular weight of 192.30 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-2-propylphenol is sourced from PubChem (CID 143280508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).