3-methyl-4-propan-2-ylphenol

C10H14O — CID 18597

IUPAC3-methyl-4-propan-2-ylphenol
SMILESCc1cc(O)ccc1C(C)C
InChIInChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3
InChIKeyIJALWSVNUBBQRA-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.82
Rot. Bonds1

About 3-methyl-4-propan-2-ylphenol

3-methyl-4-propan-2-ylphenol (PubChem CID 18597) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-methyl-4-propan-2-ylphenol.

Molecular Properties

Compound Name3-methyl-4-propan-2-ylphenol
PubChem CID18597
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3-methyl-4-propan-2-ylphenol
SMILESCc1cc(O)ccc1C(C)C
InChIInChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3
InChIKeyIJALWSVNUBBQRA-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-ylphenol?
The IUPAC name of 3-methyl-4-propan-2-ylphenol (CID 18597) is 3-methyl-4-propan-2-ylphenol.
What is the SMILES notation for 3-methyl-4-propan-2-ylphenol?
The canonical SMILES for 3-methyl-4-propan-2-ylphenol is Cc1cc(O)ccc1C(C)C.
What is the InChIKey of 3-methyl-4-propan-2-ylphenol?
The InChIKey is IJALWSVNUBBQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3.
What are the key properties of 3-methyl-4-propan-2-ylphenol?
3-methyl-4-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 3-methyl-4-propan-2-ylphenol is sourced from PubChem (CID 18597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).