2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde

C16H14O5 — CID 54363889

IUPAC2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde
SMILESCOc1ccc(C(=O)c2ccc(OCC=O)cc2O)cc1
InChIInChI=1S/C16H14O5/c1-20-12-4-2-11(3-5-12)16(19)14-7-6-13(10-15(14)18)21-9-8-17/h2-8,10,18H,9H2,1H3
InChIKeyCGFZRZOOWSMADO-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.21
Rot. Bonds6

About 2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde

2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde (PubChem CID 54363889) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde.

Molecular Properties

Compound Name2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde
PubChem CID54363889
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde
SMILESCOc1ccc(C(=O)c2ccc(OCC=O)cc2O)cc1
InChIInChI=1S/C16H14O5/c1-20-12-4-2-11(3-5-12)16(19)14-7-6-13(10-15(14)18)21-9-8-17/h2-8,10,18H,9H2,1H3
InChIKeyCGFZRZOOWSMADO-UHFFFAOYSA-N
XLogP2.21
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.21
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-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
3-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]propyl 2-oxobutanoate
CID 57107066
CID 172864174
CID 172864174
CID 175499515
CID 175499515
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone
CID 141021495
4-(2-hydroxy-4-methoxybenzoyl)benzenesulfonic acid
CID 101277642
(2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone
CID 14241911
(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 151405444
dimethyl 4-(2-oxoethoxy)benzene-1,2-dicarboxylate
CID 54350444
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde?
The IUPAC name of 2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde (CID 54363889) is 2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde.
What is the SMILES notation for 2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde?
The canonical SMILES for 2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde is COc1ccc(C(=O)c2ccc(OCC=O)cc2O)cc1.
What is the InChIKey of 2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde?
The InChIKey is CGFZRZOOWSMADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-12-4-2-11(3-5-12)16(19)14-7-6-13(10-15(14)18)21-9-8-17/h2-8,10,18H,9H2,1H3.
What are the key properties of 2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde?
2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde has a molecular weight of 286.28 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde is sourced from PubChem (CID 54363889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).