formic acid;2,3,4-trimethylphenol

C10H14O3 — CID 67747401

IUPACformic acid;2,3,4-trimethylphenol
SMILESCc1ccc(O)c(C)c1C.O=CO
InChIInChI=1S/C9H12O.CH2O2/c1-6-4-5-9(10)8(3)7(6)2;2-1-3/h4-5,10H,1-3H3;1H,(H,2,3)
InChIKeyRLTDWZQHOGWKMJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.02
Rot. Bonds

About formic acid;2,3,4-trimethylphenol

formic acid;2,3,4-trimethylphenol (PubChem CID 67747401) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is formic acid;2,3,4-trimethylphenol.

Molecular Properties

Compound Nameformic acid;2,3,4-trimethylphenol
PubChem CID67747401
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameformic acid;2,3,4-trimethylphenol
SMILESCc1ccc(O)c(C)c1C.O=CO
InChIInChI=1S/C9H12O.CH2O2/c1-6-4-5-9(10)8(3)7(6)2;2-1-3/h4-5,10H,1-3H3;1H,(H,2,3)
InChIKeyRLTDWZQHOGWKMJ-UHFFFAOYSA-N
XLogP2.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;2,3,4-trimethylphenol?
The IUPAC name of formic acid;2,3,4-trimethylphenol (CID 67747401) is formic acid;2,3,4-trimethylphenol.
What is the SMILES notation for formic acid;2,3,4-trimethylphenol?
The canonical SMILES for formic acid;2,3,4-trimethylphenol is Cc1ccc(O)c(C)c1C.O=CO.
What is the InChIKey of formic acid;2,3,4-trimethylphenol?
The InChIKey is RLTDWZQHOGWKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.CH2O2/c1-6-4-5-9(10)8(3)7(6)2;2-1-3/h4-5,10H,1-3H3;1H,(H,2,3).
What are the key properties of formic acid;2,3,4-trimethylphenol?
formic acid;2,3,4-trimethylphenol has a molecular weight of 182.22 g/mol, XLogP of 2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2,3,4-trimethylphenol is sourced from PubChem (CID 67747401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).