4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde

C13H11FO3 — CID 11736457

IUPAC4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde
SMILESCOCOc1cccc2c(F)ccc(C=O)c12
InChIInChI=1S/C13H11FO3/c1-16-8-17-12-4-2-3-10-11(14)6-5-9(7-15)13(10)12/h2-7H,8H2,1H3
InChIKeyXROWETDBTWZDFG-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.77
Rot. Bonds4

About 4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde

4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde (PubChem CID 11736457) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde
PubChem CID11736457
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Name4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde
SMILESCOCOc1cccc2c(F)ccc(C=O)c12
InChIInChI=1S/C13H11FO3/c1-16-8-17-12-4-2-3-10-11(14)6-5-9(7-15)13(10)12/h2-7H,8H2,1H3
InChIKeyXROWETDBTWZDFG-UHFFFAOYSA-N
XLogP2.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11339020
4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde
CID 166107369
8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde
CID 166107364
2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649767
2-bromo-3-(methoxymethoxy)benzaldehyde
CID 59515258
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-fluoro-6-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649734
4-fluoro-3-(methoxymethoxy)benzaldehyde
CID 23143885
2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
CID 140672878
2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde
CID 163233297
6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde
CID 102346348
2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde
CID 54157105

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde (CID 11736457) is 4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde is COCOc1cccc2c(F)ccc(C=O)c12.
What is the InChIKey of 4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde?
The InChIKey is XROWETDBTWZDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c1-16-8-17-12-4-2-3-10-11(14)6-5-9(7-15)13(10)12/h2-7H,8H2,1H3.
What are the key properties of 4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde?
4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde has a molecular weight of 234.23 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 11736457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).