4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol

C16H18O4 — CID 157111710

IUPAC4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
SMILESO=Cc1ccc(CO)cc1.OCc1ccc(CO)cc1
InChIInChI=1S/C8H10O2.C8H8O2/c2*9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2;1-5,10H,6H2
InChIKeyAGXVQAPGASHCLH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.66
Rot. Bonds4

About 4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol

4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol (PubChem CID 157111710) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
PubChem CID157111710
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
SMILESO=Cc1ccc(CO)cc1.OCc1ccc(CO)cc1
InChIInChI=1S/C8H10O2.C8H8O2/c2*9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2;1-5,10H,6H2
InChIKeyAGXVQAPGASHCLH-UHFFFAOYSA-N
XLogP1.66
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.66
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

dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol
CID 160602999
benzaldehyde;phenylmethanol
CID 87934574
1-[4-(hydroxymethyl)phenyl]pentane-1,4-dione;4-(4-oxopentanoyl)benzaldehyde
CID 158398073
3,5-bis(hydroxymethyl)benzaldehyde
CID 87583530
4-(2,2-dihydroxyethyl)benzaldehyde
CID 20644922
(4-formylphenyl)methylphosphonous acid
CID 126604382
4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol
CID 159042728
4-(3-oxopropyl)benzaldehyde
CID 12927813
4-[6-(4-formylphenyl)hexyl]benzaldehyde
CID 174975156
4-(ethylaminomethyl)benzaldehyde
CID 87956656
4-(2-hydroxy-2-methylpropyl)benzaldehyde
CID 105437566
ethanol;4-hydroxybenzaldehyde
CID 172788634

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol?
The IUPAC name of 4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol (CID 157111710) is 4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for 4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for 4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol is O=Cc1ccc(CO)cc1.OCc1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol?
The InChIKey is AGXVQAPGASHCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C8H8O2/c2*9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2;1-5,10H,6H2.
What are the key properties of 4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol?
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol has a molecular weight of 274.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 157111710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).