benzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol

C23H26O4 — CID 174235239

IUPACbenzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol
SMILESO=Cc1ccccc1.OCCc1ccccc1CCO.Oc1ccccc1
InChIInChI=1S/C10H14O2.C7H6O.C6H6O/c11-7-5-9-3-1-2-4-10(9)6-8-12;8-6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-4,11-12H,5-8H2;1-6H;1-5,7H
InChIKeyIHJLVIRBWKBWJB-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.65
Rot. Bonds5

About benzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol

benzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol (PubChem CID 174235239) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is benzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol.

Molecular Properties

Compound Namebenzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol
PubChem CID174235239
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Namebenzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol
SMILESO=Cc1ccccc1.OCCc1ccccc1CCO.Oc1ccccc1
InChIInChI=1S/C10H14O2.C7H6O.C6H6O/c11-7-5-9-3-1-2-4-10(9)6-8-12;8-6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-4,11-12H,5-8H2;1-6H;1-5,7H
InChIKeyIHJLVIRBWKBWJB-UHFFFAOYSA-N
XLogP3.65
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;phenylmethanol
CID 87934574
benzaldehyde;hydrate
CID 86741597
4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde
CID 154175509
2-[2-(2-sulfanylethyl)phenyl]ethanol
CID 140853248
benzaldehyde;carbonic acid;hydrate
CID 173060917
benzaldehyde;ethane;methanol
CID 143448374
benzaldehyde;ethane
CID 54495732
benzaldehyde;ethene
CID 22005957
ethanol;4-hydroxybenzaldehyde
CID 172788634
benzaldehyde;ethane;propane
CID 91184446
benzaldehyde;methanethiol
CID 142053607
benzaldehyde;formamide
CID 87258384

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol?
The IUPAC name of benzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol (CID 174235239) is benzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol.
What is the SMILES notation for benzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol?
The canonical SMILES for benzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol is O=Cc1ccccc1.OCCc1ccccc1CCO.Oc1ccccc1.
What is the InChIKey of benzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol?
The InChIKey is IHJLVIRBWKBWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C7H6O.C6H6O/c11-7-5-9-3-1-2-4-10(9)6-8-12;8-6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-4,11-12H,5-8H2;1-6H;1-5,7H.
What are the key properties of benzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol?
benzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol has a molecular weight of 366.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;2-[2-(2-hydroxyethyl)phenyl]ethanol;phenol is sourced from PubChem (CID 174235239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).