7-(ethoxymethyl)naphthalene-2-carbaldehyde

C14H14O2 — CID 87484194

IUPAC7-(ethoxymethyl)naphthalene-2-carbaldehyde
SMILESCCOCc1ccc2ccc(C=O)cc2c1
InChIInChI=1S/C14H14O2/c1-2-16-10-12-4-6-13-5-3-11(9-15)7-14(13)8-12/h3-9H,2,10H2,1H3
InChIKeyFWABJZFDKZXKDS-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.19
Rot. Bonds4

About 7-(ethoxymethyl)naphthalene-2-carbaldehyde

7-(ethoxymethyl)naphthalene-2-carbaldehyde (PubChem CID 87484194) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 7-(ethoxymethyl)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name7-(ethoxymethyl)naphthalene-2-carbaldehyde
PubChem CID87484194
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name7-(ethoxymethyl)naphthalene-2-carbaldehyde
SMILESCCOCc1ccc2ccc(C=O)cc2c1
InChIInChI=1S/C14H14O2/c1-2-16-10-12-4-6-13-5-3-11(9-15)7-14(13)8-12/h3-9H,2,10H2,1H3
InChIKeyFWABJZFDKZXKDS-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(ethoxymethyl)naphthalene
CID 11063138
4-(ethoxymethoxymethyl)benzaldehyde
CID 170993765
3-(ethoxymethyl)-5-methylbenzaldehyde
CID 144776473
naphthalene-2,6-dicarbaldehyde
CID 159038637
ethanamine;naphthalene-2-carbaldehyde
CID 143882987
3-[[3-[[3-[[3-[(3-formylphenyl)methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11028483
5-(ethoxymethyl)-1-benzothiophene
CID 102099380
5-(ethoxymethyl)pyridine-2-carbaldehyde
CID 88594299
6-methylanthracene-2-carbaldehyde
CID 156805593
N-methylmethanamine;naphthalene-2-carbaldehyde
CID 174771308
6-(4-hydroxybutyl)naphthalene-2-carbaldehyde
CID 126699498
6-methylnaphthalene-2-carbaldehyde
CID 6452268

Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethyl)naphthalene-2-carbaldehyde?
The IUPAC name of 7-(ethoxymethyl)naphthalene-2-carbaldehyde (CID 87484194) is 7-(ethoxymethyl)naphthalene-2-carbaldehyde.
What is the SMILES notation for 7-(ethoxymethyl)naphthalene-2-carbaldehyde?
The canonical SMILES for 7-(ethoxymethyl)naphthalene-2-carbaldehyde is CCOCc1ccc2ccc(C=O)cc2c1.
What is the InChIKey of 7-(ethoxymethyl)naphthalene-2-carbaldehyde?
The InChIKey is FWABJZFDKZXKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-2-16-10-12-4-6-13-5-3-11(9-15)7-14(13)8-12/h3-9H,2,10H2,1H3.
What are the key properties of 7-(ethoxymethyl)naphthalene-2-carbaldehyde?
7-(ethoxymethyl)naphthalene-2-carbaldehyde has a molecular weight of 214.26 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxymethyl)naphthalene-2-carbaldehyde is sourced from PubChem (CID 87484194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).