5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol

C14H20O — CID 19877333

IUPAC5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol
SMILESC=C(C)Cc1c(O)cc(C)cc1CCC
InChIInChI=1S/C14H20O/c1-5-6-12-8-11(4)9-14(15)13(12)7-10(2)3/h8-9,15H,2,5-7H2,1,3-4H3
InChIKeyTZACBCIEQHQLPT-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.77
Rot. Bonds4

About 5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol

5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol (PubChem CID 19877333) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol.

Molecular Properties

Compound Name5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol
PubChem CID19877333
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol
SMILESC=C(C)Cc1c(O)cc(C)cc1CCC
InChIInChI=1S/C14H20O/c1-5-6-12-8-11(4)9-14(15)13(12)7-10(2)3/h8-9,15H,2,5-7H2,1,3-4H3
InChIKeyTZACBCIEQHQLPT-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol?
The IUPAC name of 5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol (CID 19877333) is 5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol.
What is the SMILES notation for 5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol?
The canonical SMILES for 5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol is C=C(C)Cc1c(O)cc(C)cc1CCC.
What is the InChIKey of 5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol?
The InChIKey is TZACBCIEQHQLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-6-12-8-11(4)9-14(15)13(12)7-10(2)3/h8-9,15H,2,5-7H2,1,3-4H3.
What are the key properties of 5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol?
5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol has a molecular weight of 204.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol is sourced from PubChem (CID 19877333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).