benzoic acid;2-(2-hydroxyethoxy)ethanol

C11H16O5 — CID 57375611

IUPACbenzoic acid;2-(2-hydroxyethoxy)ethanol
SMILESO=C(O)c1ccccc1.OCCOCCO
InChIInChI=1S/C7H6O2.C4H10O3/c8-7(9)6-4-2-1-3-5-6;5-1-3-7-4-2-6/h1-5H,(H,8,9);5-6H,1-4H2
InChIKeyMXPXQHNDBVPQEU-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.37
Rot. Bonds5

About benzoic acid;2-(2-hydroxyethoxy)ethanol

benzoic acid;2-(2-hydroxyethoxy)ethanol (PubChem CID 57375611) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is benzoic acid;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Namebenzoic acid;2-(2-hydroxyethoxy)ethanol
PubChem CID57375611
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namebenzoic acid;2-(2-hydroxyethoxy)ethanol
SMILESO=C(O)c1ccccc1.OCCOCCO
InChIInChI=1S/C7H6O2.C4H10O3/c8-7(9)6-4-2-1-3-5-6;5-1-3-7-4-2-6/h1-5H,(H,8,9);5-6H,1-4H2
InChIKeyMXPXQHNDBVPQEU-UHFFFAOYSA-N
XLogP0.37
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid
CID 175831350
4-formylbenzoic acid;2-(2-hydroxyethoxy)ethanol
CID 175368400
2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol
CID 174967065
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
CID 162019063
4-aminobenzoic acid;2-(2-phenoxyethoxy)ethanol
CID 71320764
benzene-1,3-dicarboxylic acid;2-(2-hydroxyethoxy)ethanol;5-sulfobenzene-1,3-dicarboxylic acid;terephthalic acid
CID 173396773
acetic acid;benzoic acid;ethane-1,2-diol
CID 68854704
benzoic acid;bis(propan-1-ol)
CID 175024841
benzoic acid;2-chloroethanol
CID 86108582
benzoic acid;1-pentoxypentane
CID 70815519
2-hydroxybenzoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 70560732
CID 87090637
CID 87090637

Frequently Asked Questions

What is the IUPAC name of benzoic acid;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of benzoic acid;2-(2-hydroxyethoxy)ethanol (CID 57375611) is benzoic acid;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for benzoic acid;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for benzoic acid;2-(2-hydroxyethoxy)ethanol is O=C(O)c1ccccc1.OCCOCCO.
What is the InChIKey of benzoic acid;2-(2-hydroxyethoxy)ethanol?
The InChIKey is MXPXQHNDBVPQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C4H10O3/c8-7(9)6-4-2-1-3-5-6;5-1-3-7-4-2-6/h1-5H,(H,8,9);5-6H,1-4H2.
What are the key properties of benzoic acid;2-(2-hydroxyethoxy)ethanol?
benzoic acid;2-(2-hydroxyethoxy)ethanol has a molecular weight of 228.24 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 57375611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).