5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde

C16H18O4 — CID 10016170

IUPAC5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde
SMILESCCc1cccc2c(C=O)cc(OCCOC)c(O)c12
InChIInChI=1S/C16H18O4/c1-3-11-5-4-6-13-12(10-17)9-14(16(18)15(11)13)20-8-7-19-2/h4-6,9-10,18H,3,7-8H2,1-2H3
InChIKeyCJZPAUDKRLKLGE-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.95
Rot. Bonds6

About 5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde

5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde (PubChem CID 10016170) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde
PubChem CID10016170
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde
SMILESCCc1cccc2c(C=O)cc(OCCOC)c(O)c12
InChIInChI=1S/C16H18O4/c1-3-11-5-4-6-13-12(10-17)9-14(16(18)15(11)13)20-8-7-19-2/h4-6,9-10,18H,3,7-8H2,1-2H3
InChIKeyCJZPAUDKRLKLGE-UHFFFAOYSA-N
XLogP2.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde 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

5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde
CID 10471842
(E)-3-(3-ethoxy-5-ethyl-4-hydroxynaphthalen-1-yl)prop-2-enoic acid
CID 11778745
ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10385609
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde
CID 166107369
(E)-3-(4-hydroxy-3-methoxy-5-propylnaphthalen-1-yl)-2-methylprop-2-enoic acid
CID 10086171
ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate
CID 10250397
(Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid
CID 11741233
4-(2-methoxyethoxy)anthracene-1-carbaldehyde
CID 19738626
ethyl (E)-3-[3-ethoxy-5-ethyl-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10338451
2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
ethyl (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-methylprop-2-enoate
CID 10316348

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde (CID 10016170) is 5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde is CCc1cccc2c(C=O)cc(OCCOC)c(O)c12.
What is the InChIKey of 5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde?
The InChIKey is CJZPAUDKRLKLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-3-11-5-4-6-13-12(10-17)9-14(16(18)15(11)13)20-8-7-19-2/h4-6,9-10,18H,3,7-8H2,1-2H3.
What are the key properties of 5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde?
5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde has a molecular weight of 274.32 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 10016170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).