3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde

C15H14O4 — CID 45257691

IUPAC3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
SMILESCOc1c(O)cc(C=O)cc1OCc1ccccc1
InChIInChI=1S/C15H14O4/c1-18-15-13(17)7-12(9-16)8-14(15)19-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3
InChIKeyJGIVBLHLGASOPD-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.79
Rot. Bonds5

About 3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde

3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde (PubChem CID 45257691) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
PubChem CID45257691
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
SMILESCOc1c(O)cc(C=O)cc1OCc1ccccc1
InChIInChI=1S/C15H14O4/c1-18-15-13(17)7-12(9-16)8-14(15)19-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3
InChIKeyJGIVBLHLGASOPD-UHFFFAOYSA-N
XLogP2.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.79
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

3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706
3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzaldehyde
CID 101265735
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
CID 22456878
4-phenylmethoxynaphthalene-2-carbaldehyde
CID 71757507
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
5-methoxy-4-phenylmethoxynaphthalene-2-carbaldehyde
CID 46909849
(3-ethoxy-5-formyl-2-phenylmethoxyphenyl)boronic acid
CID 167726759
3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
CID 22636947
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004
2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol
CID 135026155

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde?
The IUPAC name of 3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde (CID 45257691) is 3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde.
What is the SMILES notation for 3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde?
The canonical SMILES for 3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde is COc1c(O)cc(C=O)cc1OCc1ccccc1.
What is the InChIKey of 3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde?
The InChIKey is JGIVBLHLGASOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-15-13(17)7-12(9-16)8-14(15)19-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3.
What are the key properties of 3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde?
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde has a molecular weight of 258.27 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde is sourced from PubChem (CID 45257691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).