formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol

C22H26O4 — CID 170853044

IUPACformaldehyde;2-methylphenol;3-methylphenol;4-methylphenol
SMILESC=O.Cc1ccc(O)cc1.Cc1cccc(O)c1.Cc1ccccc1O
InChIInChI=1S/3C7H8O.CH2O/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-2/h3*2-5,8H,1H3;1H2
InChIKeyGFXJHVMGVJTANW-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.92
Rot. Bonds

About formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol

formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol (PubChem CID 170853044) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol.

Molecular Properties

Compound Nameformaldehyde;2-methylphenol;3-methylphenol;4-methylphenol
PubChem CID170853044
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Nameformaldehyde;2-methylphenol;3-methylphenol;4-methylphenol
SMILESC=O.Cc1ccc(O)cc1.Cc1cccc(O)c1.Cc1ccccc1O
InChIInChI=1S/3C7H8O.CH2O/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-2/h3*2-5,8H,1H3;1H2
InChIKeyGFXJHVMGVJTANW-UHFFFAOYSA-N
XLogP4.92
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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sodium 3-methylphenol
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CID 157072057
bis(4-methylaniline);3-methylphenol
CID 144604707
4-methylbenzoic acid;3-methylphenol
CID 159152247
3-methylphenol;sulfuric acid
CID 70180616
bis(2,6-dimethylphenol);2-methylphenol;phenol
CID 67931850
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CID 174921018

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol?
The IUPAC name of formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol (CID 170853044) is formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol.
What is the SMILES notation for formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol?
The canonical SMILES for formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol is C=O.Cc1ccc(O)cc1.Cc1cccc(O)c1.Cc1ccccc1O.
What is the InChIKey of formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol?
The InChIKey is GFXJHVMGVJTANW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H8O.CH2O/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-2/h3*2-5,8H,1H3;1H2.
What are the key properties of formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol?
formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol has a molecular weight of 354.45 g/mol, XLogP of 4.92, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol is sourced from PubChem (CID 170853044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).