2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde

C20H24O5 — CID 113235685

IUPAC2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCC(O)COCc2ccccc2)c1
InChIInChI=1S/C20H24O5/c1-2-10-24-19-9-8-17(12-21)20(11-19)25-15-18(22)14-23-13-16-6-4-3-5-7-16/h3-9,11-12,18,22H,2,10,13-15H2,1H3
InChIKeyUDIICJQZSQJLPQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.24
Rot. Bonds11

About 2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde

2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde (PubChem CID 113235685) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde
PubChem CID113235685
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCC(O)COCc2ccccc2)c1
InChIInChI=1S/C20H24O5/c1-2-10-24-19-9-8-17(12-21)20(11-19)25-15-18(22)14-23-13-16-6-4-3-5-7-16/h3-9,11-12,18,22H,2,10,13-15H2,1H3
InChIKeyUDIICJQZSQJLPQ-UHFFFAOYSA-N
XLogP3.24
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde
CID 43388336
3-(2-formyl-5-propoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623386
2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde
CID 56605246
ethyl (E)-3-(2-phenylmethoxy-4-propoxyphenyl)prop-2-enoate
CID 86618807
2-(2-ethyl-2-hydroxybutoxy)-4-propoxybenzaldehyde
CID 114493979
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol
CID 113341049
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
2-(3-ethylsulfonylpropoxy)-4-propoxybenzaldehyde
CID 65092966
2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
CID 59839615

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde?
The IUPAC name of 2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde (CID 113235685) is 2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde.
What is the SMILES notation for 2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde?
The canonical SMILES for 2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde is CCCOc1ccc(C=O)c(OCC(O)COCc2ccccc2)c1.
What is the InChIKey of 2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde?
The InChIKey is UDIICJQZSQJLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-2-10-24-19-9-8-17(12-21)20(11-19)25-15-18(22)14-23-13-16-6-4-3-5-7-16/h3-9,11-12,18,22H,2,10,13-15H2,1H3.
What are the key properties of 2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde?
2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde has a molecular weight of 344.41 g/mol, XLogP of 3.24, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde is sourced from PubChem (CID 113235685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).