(4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate

C18H18O5 — CID 142024607

IUPAC(4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate
SMILESO=Cc1ccc(OCCCC(=O)OCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H18O5/c19-12-14-5-9-17(10-6-14)22-11-1-2-18(21)23-13-15-3-7-16(20)8-4-15/h3-10,12,20H,1-2,11,13H2
InChIKeyQVMQLQYJIQFUTI-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.11
Rot. Bonds8

About (4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate

(4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate (PubChem CID 142024607) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is (4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate.

Molecular Properties

Compound Name(4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate
PubChem CID142024607
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name(4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate
SMILESO=Cc1ccc(OCCCC(=O)OCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H18O5/c19-12-14-5-9-17(10-6-14)22-11-1-2-18(21)23-13-15-3-7-16(20)8-4-15/h3-10,12,20H,1-2,11,13H2
InChIKeyQVMQLQYJIQFUTI-UHFFFAOYSA-N
XLogP3.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxyphenyl)methyl 4-bromobutanoate;(4-ethoxyphenyl)methyl 4-(4-formylphenoxy)butanoate;4-hydroxybenzaldehyde
CID 158921526
ethyl 5-(4-formylphenoxy)pentanoate
CID 91655164
4-(4-formylphenoxy)butanehydrazide
CID 63568719
4-(4-bromobutoxy)benzaldehyde;4-hydroxybenzaldehyde
CID 162220767
5-(4-formylphenoxy)pentanehydrazide
CID 63569079
ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate
CID 22340613
bis[(4-ethenylphenyl)methyl] hexanedioate
CID 23558427
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[4-(4-formylphenoxy)butyl]benzaldehyde
CID 87112127
N-(2-aminoethyl)-4-(4-formylphenoxy)butanamide
CID 39163097
ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate
CID 19603738

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate?
The IUPAC name of (4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate (CID 142024607) is (4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate.
What is the SMILES notation for (4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate?
The canonical SMILES for (4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate is O=Cc1ccc(OCCCC(=O)OCc2ccc(O)cc2)cc1.
What is the InChIKey of (4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate?
The InChIKey is QVMQLQYJIQFUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c19-12-14-5-9-17(10-6-14)22-11-1-2-18(21)23-13-15-3-7-16(20)8-4-15/h3-10,12,20H,1-2,11,13H2.
What are the key properties of (4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate?
(4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate has a molecular weight of 314.34 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate is sourced from PubChem (CID 142024607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).