2-tert-butyl-6-cyclopropylphenol

C13H18O — CID 139975684

IUPAC2-tert-butyl-6-cyclopropylphenol
SMILESCC(C)(C)c1cccc(C2CC2)c1O
InChIInChI=1S/C13H18O/c1-13(2,3)11-6-4-5-10(12(11)14)9-7-8-9/h4-6,9,14H,7-8H2,1-3H3
InChIKeyBZEFZFXOHBFOOG-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.57
Rot. Bonds1

About 2-tert-butyl-6-cyclopropylphenol

2-tert-butyl-6-cyclopropylphenol (PubChem CID 139975684) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-tert-butyl-6-cyclopropylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-cyclopropylphenol
PubChem CID139975684
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-tert-butyl-6-cyclopropylphenol
SMILESCC(C)(C)c1cccc(C2CC2)c1O
InChIInChI=1S/C13H18O/c1-13(2,3)11-6-4-5-10(12(11)14)9-7-8-9/h4-6,9,14H,7-8H2,1-3H3
InChIKeyBZEFZFXOHBFOOG-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-6-cyclopropylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-8-cyclopropylnaphthalene
CID 156665597
2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
CID 137225880
2,6-di(cyclobutyl)phenol
CID 57426118
2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
2-tert-butyl-6-(3,4-diphenylcyclopenta-2,4-dien-1-yl)phenol
CID 101333517
2-tert-butyl-6-methylphenol
CID 16678
2-bromo-6-(4-propylcyclohexyl)phenol
CID 162716944
2-tert-butyl-6-methylphenol;methane
CID 159779150
2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol
CID 67533716
3-cyclopropyl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 157394257
2-tert-butyl-6-(2-ethyl-1H-inden-1-yl)phenol
CID 141043796
2-butan-2-yl-6-cyclopropylphenol
CID 3058303

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-cyclopropylphenol?
The IUPAC name of 2-tert-butyl-6-cyclopropylphenol (CID 139975684) is 2-tert-butyl-6-cyclopropylphenol.
What is the SMILES notation for 2-tert-butyl-6-cyclopropylphenol?
The canonical SMILES for 2-tert-butyl-6-cyclopropylphenol is CC(C)(C)c1cccc(C2CC2)c1O.
What is the InChIKey of 2-tert-butyl-6-cyclopropylphenol?
The InChIKey is BZEFZFXOHBFOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2,3)11-6-4-5-10(12(11)14)9-7-8-9/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 2-tert-butyl-6-cyclopropylphenol?
2-tert-butyl-6-cyclopropylphenol has a molecular weight of 190.29 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-cyclopropylphenol is sourced from PubChem (CID 139975684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).