2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde

C20H16O3 — CID 53220652

IUPAC2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde
SMILESO=Cc1cccc(-c2ccc(OCc3ccccc3)cc2)c1O
InChIInChI=1S/C20H16O3/c21-13-17-7-4-8-19(20(17)22)16-9-11-18(12-10-16)23-14-15-5-2-1-3-6-15/h1-13,22H,14H2
InChIKeyFKSBGPVNZGUXLD-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.45
Rot. Bonds5

About 2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde

2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde (PubChem CID 53220652) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde
PubChem CID53220652
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde
SMILESO=Cc1cccc(-c2ccc(OCc3ccccc3)cc2)c1O
InChIInChI=1S/C20H16O3/c21-13-17-7-4-8-19(20(17)22)16-9-11-18(12-10-16)23-14-15-5-2-1-3-6-15/h1-13,22H,14H2
InChIKeyFKSBGPVNZGUXLD-UHFFFAOYSA-N
XLogP4.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenoxymethylbenzene;2-phenylphenol
CID 159234068
3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde
CID 170457674
2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
CID 172993953
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
CID 158370416
2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde
CID 172649681
2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde
CID 172651345
2-[4-(difluoromethyl)phenyl]-5-phenylmethoxybenzaldehyde
CID 172651354
2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde
CID 143713243
2-phenyl-5-phenylmethoxyphenol
CID 123808909
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
CID 22444385
2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
CID 172651179

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde?
The IUPAC name of 2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde (CID 53220652) is 2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde is O=Cc1cccc(-c2ccc(OCc3ccccc3)cc2)c1O.
What is the InChIKey of 2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde?
The InChIKey is FKSBGPVNZGUXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c21-13-17-7-4-8-19(20(17)22)16-9-11-18(12-10-16)23-14-15-5-2-1-3-6-15/h1-13,22H,14H2.
What are the key properties of 2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde?
2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde has a molecular weight of 304.35 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde is sourced from PubChem (CID 53220652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).