2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde

C16H17NO3 — CID 122466227

IUPAC2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde
SMILESCCc1cccc(COc2ccc(CO)cc2C=O)n1
InChIInChI=1S/C16H17NO3/c1-2-14-4-3-5-15(17-14)11-20-16-7-6-12(9-18)8-13(16)10-19/h3-8,10,18H,2,9,11H2,1H3
InChIKeyDVCZBWCPLIWXHA-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.53
Rot. Bonds6

About 2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde

2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde (PubChem CID 122466227) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde.

Molecular Properties

Compound Name2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde
PubChem CID122466227
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde
SMILESCCc1cccc(COc2ccc(CO)cc2C=O)n1
InChIInChI=1S/C16H17NO3/c1-2-14-4-3-5-15(17-14)11-20-16-7-6-12(9-18)8-13(16)10-19/h3-8,10,18H,2,9,11H2,1H3
InChIKeyDVCZBWCPLIWXHA-UHFFFAOYSA-N
XLogP2.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-(2-hydroxyethoxy)benzaldehyde
CID 22039827
[4-[(6-hydrazinyl-2-pyridinyl)methoxy]-3-methoxyphenyl]methanol
CID 107744846
2-ethyl-5-(hydroxymethyl)benzaldehyde
CID 131311847
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
[6-[(2,5-diformylphenoxy)methyl]-2-pyridinyl]methyl nitrate
CID 155196123
4-[[4-[[4-[(4-carboxyphenyl)methoxy]-3-formylphenyl]methyl]-2-formylphenoxy]methyl]benzoic acid
CID 59154492
4-ethoxy-3-formylbenzoic acid
CID 40655849
6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine-2-carbaldehyde
CID 79267439
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267363
2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde
CID 10849382
3-(4-ethoxy-3-formylphenyl)propanoic acid
CID 138986606

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde?
The IUPAC name of 2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde (CID 122466227) is 2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde.
What is the SMILES notation for 2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde?
The canonical SMILES for 2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde is CCc1cccc(COc2ccc(CO)cc2C=O)n1.
What is the InChIKey of 2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde?
The InChIKey is DVCZBWCPLIWXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-14-4-3-5-15(17-14)11-20-16-7-6-12(9-18)8-13(16)10-19/h3-8,10,18H,2,9,11H2,1H3.
What are the key properties of 2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde?
2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde has a molecular weight of 271.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde is sourced from PubChem (CID 122466227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).