methane;4-propan-2-ylphenol

C12H24O — CID 159328733

IUPACmethane;4-propan-2-ylphenol
SMILESC.C.C.CC(C)c1ccc(O)cc1
InChIInChI=1S/C9H12O.3CH4/c1-7(2)8-3-5-9(10)6-4-8;;;/h3-7,10H,1-2H3;3*1H4
InChIKeyLERYGFNYUQGVCH-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.42
Rot. Bonds1

About methane;4-propan-2-ylphenol

methane;4-propan-2-ylphenol (PubChem CID 159328733) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is methane;4-propan-2-ylphenol.

Molecular Properties

Compound Namemethane;4-propan-2-ylphenol
PubChem CID159328733
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Namemethane;4-propan-2-ylphenol
SMILESC.C.C.CC(C)c1ccc(O)cc1
InChIInChI=1S/C9H12O.3CH4/c1-7(2)8-3-5-9(10)6-4-8;;;/h3-7,10H,1-2H3;3*1H4
InChIKeyLERYGFNYUQGVCH-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 174824648
CID 174824648
4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
CID 22648594
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
4-(4-propan-2-ylanilino)phenol
CID 21326552
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol
CID 144897116
4-propan-2-ylphenol;trifluoromethanesulfonate
CID 91607276
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
ethane;phenol;1-phenyl-4-propan-2-ylbenzene
CID 159836751
4-propan-2-ylphenol;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
CID 165079137
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
bis(4-propan-2-ylphenol);bis(1,2,3-trimethylcyclopenta-1,3-diene);zirconium(2+)
CID 87844894

Frequently Asked Questions

What is the IUPAC name of methane;4-propan-2-ylphenol?
The IUPAC name of methane;4-propan-2-ylphenol (CID 159328733) is methane;4-propan-2-ylphenol.
What is the SMILES notation for methane;4-propan-2-ylphenol?
The canonical SMILES for methane;4-propan-2-ylphenol is C.C.C.CC(C)c1ccc(O)cc1.
What is the InChIKey of methane;4-propan-2-ylphenol?
The InChIKey is LERYGFNYUQGVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.3CH4/c1-7(2)8-3-5-9(10)6-4-8;;;/h3-7,10H,1-2H3;3*1H4.
What are the key properties of methane;4-propan-2-ylphenol?
methane;4-propan-2-ylphenol has a molecular weight of 184.32 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-propan-2-ylphenol is sourced from PubChem (CID 159328733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).