1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol

C20H28O — CID 159173733

IUPAC1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol
SMILESCc1c(O)cccc1C(C)C.Cc1ccccc1C(C)C
InChIInChI=1S/C10H14O.C10H14/c1-7(2)9-5-4-6-10(11)8(9)3;1-8(2)10-7-5-4-6-9(10)3/h4-7,11H,1-3H3;4-8H,1-3H3
InChIKeyKMAAEEKQOABTBY-UHFFFAOYSA-N
MW284.44 g/mol
LogP5.94
Rot. Bonds2

About 1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol

1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol (PubChem CID 159173733) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol
PubChem CID159173733
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol
SMILESCc1c(O)cccc1C(C)C.Cc1ccccc1C(C)C
InChIInChI=1S/C10H14O.C10H14/c1-7(2)9-5-4-6-10(11)8(9)3;1-8(2)10-7-5-4-6-9(10)3/h4-7,11H,1-3H3;4-8H,1-3H3
InChIKeyKMAAEEKQOABTBY-UHFFFAOYSA-N
XLogP5.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol 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

bis(1-methyl-2-propan-2-ylbenzene);toluene
CID 162261210
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
isocyanic acid;1-methyl-2-propan-2-ylbenzene
CID 173083871
1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene
CID 158048784
lithium;hydride;2-propan-2-ylphenol
CID 175276368
2,3-dimethylphenol;bis(2-methylphenol)
CID 67655814
ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
CID 142526423
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol
CID 130792014
1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene
CID 159734300
cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium
CID 172716500
2-[1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 66812750

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol?
The IUPAC name of 1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol (CID 159173733) is 1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol.
What is the SMILES notation for 1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol?
The canonical SMILES for 1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol is Cc1c(O)cccc1C(C)C.Cc1ccccc1C(C)C.
What is the InChIKey of 1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol?
The InChIKey is KMAAEEKQOABTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C10H14/c1-7(2)9-5-4-6-10(11)8(9)3;1-8(2)10-7-5-4-6-9(10)3/h4-7,11H,1-3H3;4-8H,1-3H3.
What are the key properties of 1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol?
1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol has a molecular weight of 284.44 g/mol, XLogP of 5.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol is sourced from PubChem (CID 159173733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).