5-butyl-2-(2-methylpropyl)phenol

C14H22O — CID 69337414

IUPAC5-butyl-2-(2-methylpropyl)phenol
SMILESCCCCc1ccc(CC(C)C)c(O)c1
InChIInChI=1S/C14H22O/c1-4-5-6-12-7-8-13(9-11(2)3)14(15)10-12/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyPVLMELANHRGGSP-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.93
Rot. Bonds5

About 5-butyl-2-(2-methylpropyl)phenol

5-butyl-2-(2-methylpropyl)phenol (PubChem CID 69337414) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-butyl-2-(2-methylpropyl)phenol.

Molecular Properties

Compound Name5-butyl-2-(2-methylpropyl)phenol
PubChem CID69337414
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name5-butyl-2-(2-methylpropyl)phenol
SMILESCCCCc1ccc(CC(C)C)c(O)c1
InChIInChI=1S/C14H22O/c1-4-5-6-12-7-8-13(9-11(2)3)14(15)10-12/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyPVLMELANHRGGSP-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-5-pentadecylphenol
CID 175271686
2-ethyl-5-nonylphenol
CID 54394722
2-benzyl-5-pentadecylphenol
CID 10938093
4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]ethyl]benzene-1,2-diol
CID 70877694
2,6-bis(2-methylpropyl)-4-nonylphenol
CID 126622784
CID 172851102
CID 172851102
2-ethyl-5-propylphenol
CID 522454
3-(3-hydroxy-4-pentylphenyl)propyl-dimethyl-sulfoazanium
CID 11313474
2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol
CID 138634865
4-butyl-1-(2,2-difluoroethyl)-2-fluorobenzene
CID 166857103
4-butyl-2-methylphenol
CID 10964856
1-(2-methylpropyl)-4-pentylbenzene
CID 57045392

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(2-methylpropyl)phenol?
The IUPAC name of 5-butyl-2-(2-methylpropyl)phenol (CID 69337414) is 5-butyl-2-(2-methylpropyl)phenol.
What is the SMILES notation for 5-butyl-2-(2-methylpropyl)phenol?
The canonical SMILES for 5-butyl-2-(2-methylpropyl)phenol is CCCCc1ccc(CC(C)C)c(O)c1.
What is the InChIKey of 5-butyl-2-(2-methylpropyl)phenol?
The InChIKey is PVLMELANHRGGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-5-6-12-7-8-13(9-11(2)3)14(15)10-12/h7-8,10-11,15H,4-6,9H2,1-3H3.
What are the key properties of 5-butyl-2-(2-methylpropyl)phenol?
5-butyl-2-(2-methylpropyl)phenol has a molecular weight of 206.33 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(2-methylpropyl)phenol is sourced from PubChem (CID 69337414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).