Formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol

Name: Formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₂₆O₄ — CID 170853044

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol
PubChem CID	170853044
Molecular Formula	C₂₂H₂₆O₄
Molecular Weight	354.45 g/mol
Exact Mass	354.18
IUPAC Name	formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol
SMILES	C=O.Cc1ccc(O)cc1.Cc1cccc(O)c1.Cc1ccccc1O
InChI	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
InChIKey	GFXJHVMGVJTANW-UHFFFAOYSA-N
XLogP	4.92
TPSA	77.76 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 170853044 — identifiers, structure, computed properties (public domain)

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