3-methylphenol;4-methylphenol;propane

C20H32O2 — CID 157147188

IUPAC3-methylphenol;4-methylphenol;propane
SMILESCCC.CCC.Cc1ccc(O)cc1.Cc1cccc(O)c1
InChIInChI=1S/2C7H8O.2C3H8/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;2*1-3-2/h2*2-5,8H,1H3;2*3H2,1-2H3
InChIKeyAKVMOBZTULDGMZ-UHFFFAOYSA-N
MW304.47 g/mol
LogP6.23
Rot. Bonds

About 3-methylphenol;4-methylphenol;propane

3-methylphenol;4-methylphenol;propane (PubChem CID 157147188) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 3-methylphenol;4-methylphenol;propane.

Molecular Properties

Compound Name3-methylphenol;4-methylphenol;propane
PubChem CID157147188
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name3-methylphenol;4-methylphenol;propane
SMILESCCC.CCC.Cc1ccc(O)cc1.Cc1cccc(O)c1
InChIInChI=1S/2C7H8O.2C3H8/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;2*1-3-2/h2*2-5,8H,1H3;2*3H2,1-2H3
InChIKeyAKVMOBZTULDGMZ-UHFFFAOYSA-N
XLogP6.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylphenol
CID 67925627
2,2-dimethylpropane;ethane;3-methylphenol;propane
CID 143588830
sodium 3-methylphenol
CID 21278687
carbanide;3-methylphenol;yttrium
CID 161376652
bis(4-methylaniline);3-methylphenol
CID 144604707
formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol
CID 170853044
3-methylphenol;pentan-3-one
CID 174814011
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
4-methylbenzoic acid;3-methylphenol
CID 159152247
3-methylphenol;sulfuric acid
CID 70180616
4-methylphenol
CID 70549076
3-methylphenol;4-tetradecoxyphenol
CID 70365130

Frequently Asked Questions

What is the IUPAC name of 3-methylphenol;4-methylphenol;propane?
The IUPAC name of 3-methylphenol;4-methylphenol;propane (CID 157147188) is 3-methylphenol;4-methylphenol;propane.
What is the SMILES notation for 3-methylphenol;4-methylphenol;propane?
The canonical SMILES for 3-methylphenol;4-methylphenol;propane is CCC.CCC.Cc1ccc(O)cc1.Cc1cccc(O)c1.
What is the InChIKey of 3-methylphenol;4-methylphenol;propane?
The InChIKey is AKVMOBZTULDGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O.2C3H8/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;2*1-3-2/h2*2-5,8H,1H3;2*3H2,1-2H3.
What are the key properties of 3-methylphenol;4-methylphenol;propane?
3-methylphenol;4-methylphenol;propane has a molecular weight of 304.47 g/mol, XLogP of 6.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylphenol;4-methylphenol;propane is sourced from PubChem (CID 157147188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).