acetic acid;phenol

C14H16O4 — CID 70537927

IUPACacetic acid;phenol
SMILESCC(=O)O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.C2H4O2/c2*7-6-4-2-1-3-5-6;1-2(3)4/h2*1-5,7H;1H3,(H,3,4)
InChIKeyKZBFWFDUIYBTLF-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.88
Rot. Bonds

About acetic acid;phenol

acetic acid;phenol (PubChem CID 70537927) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is acetic acid;phenol.

Molecular Properties

Compound Nameacetic acid;phenol
PubChem CID70537927
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Nameacetic acid;phenol
SMILESCC(=O)O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.C2H4O2/c2*7-6-4-2-1-3-5-6;1-2(3)4/h2*1-5,7H;1H3,(H,3,4)
InChIKeyKZBFWFDUIYBTLF-UHFFFAOYSA-N
XLogP2.88
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

phenol;propan-2-one;hydrate
CID 161159865
ethane;phenol
CID 161156308
molecular oxygen;phenol
CID 141080591
2-methylprop-2-enoic acid;phenol;hydrofluoride
CID 174940878
benzene;ethane;methyl acetate;phenol
CID 162170522
carbonochloridic acid;phenol
CID 87237620
methyl hydrogen carbonate;phenol
CID 126664263
phenol;tantalum
CID 19915613
phenol;phosphane
CID 159689182
argon;phenol
CID 159678450
molybdenum;phenol
CID 154246724
neodymium;phenol
CID 154361260

Frequently Asked Questions

What is the IUPAC name of acetic acid;phenol?
The IUPAC name of acetic acid;phenol (CID 70537927) is acetic acid;phenol.
What is the SMILES notation for acetic acid;phenol?
The canonical SMILES for acetic acid;phenol is CC(=O)O.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of acetic acid;phenol?
The InChIKey is KZBFWFDUIYBTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.C2H4O2/c2*7-6-4-2-1-3-5-6;1-2(3)4/h2*1-5,7H;1H3,(H,3,4).
What are the key properties of acetic acid;phenol?
acetic acid;phenol has a molecular weight of 248.28 g/mol, XLogP of 2.88, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;phenol is sourced from PubChem (CID 70537927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).