4-(hydroxymethyl)benzaldehyde

C8H8O2 — CID 556330

IUPAC4-(hydroxymethyl)benzaldehyde
SMILESO=Cc1ccc(CO)cc1
InChIInChI=1S/C8H8O2/c9-5-7-1-2-8(6-10)4-3-7/h1-5,10H,6H2
InChIKeyZFHUHPNDGVGXMS-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.99
Rot. Bonds2

About 4-(hydroxymethyl)benzaldehyde

4-(hydroxymethyl)benzaldehyde (PubChem CID 556330) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 4-(hydroxymethyl)benzaldehyde.

Molecular Properties

Compound Name4-(hydroxymethyl)benzaldehyde
PubChem CID556330
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name4-(hydroxymethyl)benzaldehyde
SMILESO=Cc1ccc(CO)cc1
InChIInChI=1S/C8H8O2/c9-5-7-1-2-8(6-10)4-3-7/h1-5,10H,6H2
InChIKeyZFHUHPNDGVGXMS-UHFFFAOYSA-N
XLogP0.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzoic Acid
CID 243
Terephthalic Acid
CID 7489
Benzoin
CID 8400
P-Toluic Acid
CID 7470
4-tert-Butylbenzoic acid
CID 7403
4-Isopropylbenzoic Acid
CID 10820
4-Formylbenzoic acid
CID 12088
(1,1'-Biphenyl)-4-carboxylic acid
CID 66724
4-Ethylbenzoic Acid
CID 12086
4-(Hydroxymethyl)benzoic acid
CID 76360
Methyl 4-Formylbenzoate
CID 15294
2-(Hydroxymethyl)benzoic acid
CID 11920

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)benzaldehyde?
The IUPAC name of 4-(hydroxymethyl)benzaldehyde (CID 556330) is 4-(hydroxymethyl)benzaldehyde.
What is the SMILES notation for 4-(hydroxymethyl)benzaldehyde?
The canonical SMILES for 4-(hydroxymethyl)benzaldehyde is O=Cc1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)benzaldehyde?
The InChIKey is ZFHUHPNDGVGXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c9-5-7-1-2-8(6-10)4-3-7/h1-5,10H,6H2.
What are the key properties of 4-(hydroxymethyl)benzaldehyde?
4-(hydroxymethyl)benzaldehyde has a molecular weight of 136.15 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)benzaldehyde is sourced from PubChem (CID 556330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).