4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde

C20H18O4 — CID 7139008

IUPAC4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
SMILESCCOc1c(OC)cc(C=O)cc1Oc1ccc2ccccc2c1
InChIInChI=1S/C20H18O4/c1-3-23-20-18(22-2)10-14(13-21)11-19(20)24-17-9-8-15-6-4-5-7-16(15)12-17/h4-13H,3H2,1-2H3
InChIKeyWIKBKLKZFXYTQO-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.85
Rot. Bonds6

About 4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde

4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde (PubChem CID 7139008) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
PubChem CID7139008
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
SMILESCCOc1c(OC)cc(C=O)cc1Oc1ccc2ccccc2c1
InChIInChI=1S/C20H18O4/c1-3-23-20-18(22-2)10-14(13-21)11-19(20)24-17-9-8-15-6-4-5-7-16(15)12-17/h4-13H,3H2,1-2H3
InChIKeyWIKBKLKZFXYTQO-UHFFFAOYSA-N
XLogP4.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
CID 7139193
3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde
CID 7138980
3-(2-ethoxyphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139151
3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde
CID 7139023
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde
CID 7139107
3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 5123930
3-(3-ethylphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139159
3-methyl-4-naphthalen-2-yloxybenzaldehyde
CID 63535815
4-butoxy-3-(2-tert-butylphenoxy)-5-methoxybenzaldehyde
CID 7139103
2-ethoxynaphthalene
CID 118978197
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde?
The IUPAC name of 4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde (CID 7139008) is 4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde.
What is the SMILES notation for 4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde?
The canonical SMILES for 4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde is CCOc1c(OC)cc(C=O)cc1Oc1ccc2ccccc2c1.
What is the InChIKey of 4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde?
The InChIKey is WIKBKLKZFXYTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-3-23-20-18(22-2)10-14(13-21)11-19(20)24-17-9-8-15-6-4-5-7-16(15)12-17/h4-13H,3H2,1-2H3.
What are the key properties of 4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde?
4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde has a molecular weight of 322.36 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde is sourced from PubChem (CID 7139008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).