ethane;formic acid;4-methylphenol

C10H16O3 — CID 143673297

IUPACethane;formic acid;4-methylphenol
SMILESCC.Cc1ccc(O)cc1.O=CO
InChIInChI=1S/C7H8O.C2H6.CH2O2/c1-6-2-4-7(8)5-3-6;1-2;2-1-3/h2-5,8H,1H3;1-2H3;1H,(H,2,3)
InChIKeyHEQYHBOOWKZRHO-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.43
Rot. Bonds

About ethane;formic acid;4-methylphenol

ethane;formic acid;4-methylphenol (PubChem CID 143673297) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethane;formic acid;4-methylphenol.

Molecular Properties

Compound Nameethane;formic acid;4-methylphenol
PubChem CID143673297
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethane;formic acid;4-methylphenol
SMILESCC.Cc1ccc(O)cc1.O=CO
InChIInChI=1S/C7H8O.C2H6.CH2O2/c1-6-2-4-7(8)5-3-6;1-2;2-1-3/h2-5,8H,1H3;1-2H3;1H,(H,2,3)
InChIKeyHEQYHBOOWKZRHO-UHFFFAOYSA-N
XLogP2.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylphenol
CID 70549076
ethane;4-(4-methylphenyl)phenol
CID 161379556
bis(4-methylphenol);tetrahydrochloride
CID 175346853
4-methylphenol;hydrate
CID 71777661
chromium;bis(4-methylphenol);chloride
CID 172752271
4-methylphenol;2-methylpropane
CID 91606636
boric acid;4-methylphenol
CID 67912006
1-chloro-4-methylbenzene;formic acid
CID 158103199
4-(4-methylphenyl)phenol;propan-2-yl formate
CID 144627017
4-methylphenol;prop-1-yne
CID 158792009
dichlorotungsten;tris(4-methylphenol);hydrate
CID 153466835
4-methylphenol;propan-2-ylphosphane
CID 144779899

Frequently Asked Questions

What is the IUPAC name of ethane;formic acid;4-methylphenol?
The IUPAC name of ethane;formic acid;4-methylphenol (CID 143673297) is ethane;formic acid;4-methylphenol.
What is the SMILES notation for ethane;formic acid;4-methylphenol?
The canonical SMILES for ethane;formic acid;4-methylphenol is CC.Cc1ccc(O)cc1.O=CO.
What is the InChIKey of ethane;formic acid;4-methylphenol?
The InChIKey is HEQYHBOOWKZRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C2H6.CH2O2/c1-6-2-4-7(8)5-3-6;1-2;2-1-3/h2-5,8H,1H3;1-2H3;1H,(H,2,3).
What are the key properties of ethane;formic acid;4-methylphenol?
ethane;formic acid;4-methylphenol has a molecular weight of 184.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;4-methylphenol is sourced from PubChem (CID 143673297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).