methane;3,4,5-trimethylphenol

C10H16O — CID 174273113

IUPACmethane;3,4,5-trimethylphenol
SMILESC.Cc1cc(O)cc(C)c1C
InChIInChI=1S/C9H12O.CH4/c1-6-4-9(10)5-7(2)8(6)3;/h4-5,10H,1-3H3;1H4
InChIKeyLSUIBVPXIRKSII-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.95
Rot. Bonds

About methane;3,4,5-trimethylphenol

methane;3,4,5-trimethylphenol (PubChem CID 174273113) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is methane;3,4,5-trimethylphenol.

Molecular Properties

Compound Namemethane;3,4,5-trimethylphenol
PubChem CID174273113
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namemethane;3,4,5-trimethylphenol
SMILESC.Cc1cc(O)cc(C)c1C
InChIInChI=1S/C9H12O.CH4/c1-6-4-9(10)5-7(2)8(6)3;/h4-5,10H,1-3H3;1H4
InChIKeyLSUIBVPXIRKSII-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Thymol
CID 6989
M-Cresol
CID 342
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
2-Naphthol
CID 8663
2,6-Di-tert-butyl-4-methylphenol
CID 31404
4-tert-Butylphenol
CID 7393
Magnolol
CID 72300
Hexestrol
CID 192197
4-Nonylphenol
CID 1752

Frequently Asked Questions

What is the IUPAC name of methane;3,4,5-trimethylphenol?
The IUPAC name of methane;3,4,5-trimethylphenol (CID 174273113) is methane;3,4,5-trimethylphenol.
What is the SMILES notation for methane;3,4,5-trimethylphenol?
The canonical SMILES for methane;3,4,5-trimethylphenol is C.Cc1cc(O)cc(C)c1C.
What is the InChIKey of methane;3,4,5-trimethylphenol?
The InChIKey is LSUIBVPXIRKSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.CH4/c1-6-4-9(10)5-7(2)8(6)3;/h4-5,10H,1-3H3;1H4.
What are the key properties of methane;3,4,5-trimethylphenol?
methane;3,4,5-trimethylphenol has a molecular weight of 152.24 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3,4,5-trimethylphenol is sourced from PubChem (CID 174273113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).