5-methyl-2-propan-2-ylphenol

C10H14O — CID 6989

💊View drug profile → thymol
IUPAC5-methyl-2-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChIKeyMGSRCZKZVOBKFT-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.82
Rot. Bonds1

About 5-methyl-2-propan-2-ylphenol

5-methyl-2-propan-2-ylphenol (PubChem CID 6989) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-methyl-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-methyl-2-propan-2-ylphenol
PubChem CID6989
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name5-methyl-2-propan-2-ylphenol
SMILESCc1ccc(C(C)C)c(O)c1
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChIKeyMGSRCZKZVOBKFT-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Pentylphenol
CID 6643
O-Cresol
CID 335
M-Cresol
CID 342
2,4-Dimethylphenol
CID 7771
Tert-Butylhydroquinone
CID 16043
1-Naphthol
CID 7005
(1,1'-Biphenyl)-2-ol
CID 7017
Cannabidiol
CID 644019
4-tert-Butylphenol
CID 7393
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
2,5-Dimethylphenol
CID 7267

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-ylphenol?
The IUPAC name of 5-methyl-2-propan-2-ylphenol (CID 6989) is 5-methyl-2-propan-2-ylphenol.
What is the SMILES notation for 5-methyl-2-propan-2-ylphenol?
The canonical SMILES for 5-methyl-2-propan-2-ylphenol is Cc1ccc(C(C)C)c(O)c1.
What is the InChIKey of 5-methyl-2-propan-2-ylphenol?
The InChIKey is MGSRCZKZVOBKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3.
What are the key properties of 5-methyl-2-propan-2-ylphenol?
5-methyl-2-propan-2-ylphenol has a molecular weight of 150.22 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-ylphenol is sourced from PubChem (CID 6989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).