benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde

C17H20O5 — CID 173298642

IUPACbenzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde
SMILESCCOCCOc1ccc(C=O)cc1.Oc1cccc(O)c1
InChIInChI=1S/C11H14O3.C6H6O2/c1-2-13-7-8-14-11-5-3-10(9-12)4-6-11;7-5-2-1-3-6(8)4-5/h3-6,9H,2,7-8H2,1H3;1-4,7-8H
InChIKeyRFHZYPBMQYKUSP-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.01
Rot. Bonds6

About benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde

benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde (PubChem CID 173298642) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde.

Molecular Properties

Compound Namebenzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde
PubChem CID173298642
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Namebenzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde
SMILESCCOCCOc1ccc(C=O)cc1.Oc1cccc(O)c1
InChIInChI=1S/C11H14O3.C6H6O2/c1-2-13-7-8-14-11-5-3-10(9-12)4-6-11;7-5-2-1-3-6(8)4-5/h3-6,9H,2,7-8H2,1H3;1-4,7-8H
InChIKeyRFHZYPBMQYKUSP-UHFFFAOYSA-N
XLogP3.01
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde 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-[4-(2-ethoxyethoxy)phenyl]benzaldehyde
CID 145127108
3-butoxybenzaldehyde;3-hydroxybenzaldehyde
CID 157058924
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
3-[[4-(2-ethoxyethoxy)phenyl]methyl]-4-(methoxymethoxy)benzaldehyde
CID 87448764
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
4-icosoxybenzaldehyde
CID 23127488
ethanol;4-octadecoxybenzaldehyde
CID 158692714
propan-2-ol;4-[2-(3-triethoxysilylpropoxy)ethoxy]benzaldehyde
CID 18939126
ethyl 5-(4-formylphenoxy)pentanoate
CID 91655164

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde?
The IUPAC name of benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde (CID 173298642) is benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde.
What is the SMILES notation for benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde?
The canonical SMILES for benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde is CCOCCOc1ccc(C=O)cc1.Oc1cccc(O)c1.
What is the InChIKey of benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde?
The InChIKey is RFHZYPBMQYKUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.C6H6O2/c1-2-13-7-8-14-11-5-3-10(9-12)4-6-11;7-5-2-1-3-6(8)4-5/h3-6,9H,2,7-8H2,1H3;1-4,7-8H.
What are the key properties of benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde?
benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde has a molecular weight of 304.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde is sourced from PubChem (CID 173298642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).