2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde

C12H16O4 — CID 154377571

IUPAC2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde
SMILESCCC(O)c1c(C=O)cc(OC)cc1OC
InChIInChI=1S/C12H16O4/c1-4-10(14)12-8(7-13)5-9(15-2)6-11(12)16-3/h5-7,10,14H,4H2,1-3H3
InChIKeyHFFBDLBADCDXEL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.96
Rot. Bonds5

About 2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde

2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde (PubChem CID 154377571) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde
PubChem CID154377571
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde
SMILESCCC(O)c1c(C=O)cc(OC)cc1OC
InChIInChI=1S/C12H16O4/c1-4-10(14)12-8(7-13)5-9(15-2)6-11(12)16-3/h5-7,10,14H,4H2,1-3H3
InChIKeyHFFBDLBADCDXEL-UHFFFAOYSA-N
XLogP1.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.96
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

(1R)-1-(2-bromo-4,6-dimethoxyphenyl)propan-1-ol
CID 82758458
2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
CID 89013330
CID 89013330
2-(1-bromopropyl)-1,3,5-trimethoxybenzene
CID 61098697
5-ethoxy-2-hydroxy-3-methoxybenzaldehyde
CID 134891933
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
3-methyl-1-(2,4,6-trimethoxyphenyl)but-2-en-1-ol
CID 79189463
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648
2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol
CID 82990027
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-sulfanylpropane-1,2-diol
CID 170821135
2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde
CID 126601684

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde?
The IUPAC name of 2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde (CID 154377571) is 2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde.
What is the SMILES notation for 2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde?
The canonical SMILES for 2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde is CCC(O)c1c(C=O)cc(OC)cc1OC.
What is the InChIKey of 2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde?
The InChIKey is HFFBDLBADCDXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-10(14)12-8(7-13)5-9(15-2)6-11(12)16-3/h5-7,10,14H,4H2,1-3H3.
What are the key properties of 2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde?
2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde has a molecular weight of 224.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde is sourced from PubChem (CID 154377571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).