2-ethyl-5-(hydroxymethyl)benzaldehyde

C10H12O2 — CID 131311847

IUPAC2-ethyl-5-(hydroxymethyl)benzaldehyde
SMILESCCc1ccc(CO)cc1C=O
InChIInChI=1S/C10H12O2/c1-2-9-4-3-8(6-11)5-10(9)7-12/h3-5,7,11H,2,6H2,1H3
InChIKeyXPALGLDWPZFPTH-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.55
Rot. Bonds3

About 2-ethyl-5-(hydroxymethyl)benzaldehyde

2-ethyl-5-(hydroxymethyl)benzaldehyde (PubChem CID 131311847) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-ethyl-5-(hydroxymethyl)benzaldehyde.

Molecular Properties

Compound Name2-ethyl-5-(hydroxymethyl)benzaldehyde
PubChem CID131311847
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-ethyl-5-(hydroxymethyl)benzaldehyde
SMILESCCc1ccc(CO)cc1C=O
InChIInChI=1S/C10H12O2/c1-2-9-4-3-8(6-11)5-10(9)7-12/h3-5,7,11H,2,6H2,1H3
InChIKeyXPALGLDWPZFPTH-UHFFFAOYSA-N
XLogP1.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.55
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

5-ethyl-2-(methylaminomethyl)benzaldehyde
CID 143512508
[2-ethyl-4-(hydroxymethyl)phenyl]boronic acid
CID 175955829
[4-ethyl-3-(hydroxyamino)phenyl]methanol
CID 123664277
2-ethyl-5-propan-2-ylbenzaldehyde
CID 105436611
(4-ethylphenyl)methanol;formamide
CID 142287021
methyl 4-ethyl-3-formylbenzoate
CID 91332052
2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde
CID 122466227
2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde
CID 138738702
5-ethyl-2-(2-hydroxyethoxy)benzaldehyde
CID 22039827
(2,4-diethylphenyl)methanol
CID 21414896
2,5-bis(2-methoxyethyl)benzaldehyde
CID 123268427
3-(2,5-diethylphenyl)prop-2-enoic acid
CID 73455983

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(hydroxymethyl)benzaldehyde?
The IUPAC name of 2-ethyl-5-(hydroxymethyl)benzaldehyde (CID 131311847) is 2-ethyl-5-(hydroxymethyl)benzaldehyde.
What is the SMILES notation for 2-ethyl-5-(hydroxymethyl)benzaldehyde?
The canonical SMILES for 2-ethyl-5-(hydroxymethyl)benzaldehyde is CCc1ccc(CO)cc1C=O.
What is the InChIKey of 2-ethyl-5-(hydroxymethyl)benzaldehyde?
The InChIKey is XPALGLDWPZFPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-9-4-3-8(6-11)5-10(9)7-12/h3-5,7,11H,2,6H2,1H3.
What are the key properties of 2-ethyl-5-(hydroxymethyl)benzaldehyde?
2-ethyl-5-(hydroxymethyl)benzaldehyde has a molecular weight of 164.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(hydroxymethyl)benzaldehyde is sourced from PubChem (CID 131311847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).