(8-formyl-5-methoxynaphthalen-1-yl) benzoate

C19H14O4 — CID 12653578

IUPAC(8-formyl-5-methoxynaphthalen-1-yl) benzoate
SMILESCOc1ccc(C=O)c2c(OC(=O)c3ccccc3)cccc12
InChIInChI=1S/C19H14O4/c1-22-16-11-10-14(12-20)18-15(16)8-5-9-17(18)23-19(21)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeyLJYBWHMZSGOWTQ-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.88
Rot. Bonds4

About (8-formyl-5-methoxynaphthalen-1-yl) benzoate

(8-formyl-5-methoxynaphthalen-1-yl) benzoate (PubChem CID 12653578) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is (8-formyl-5-methoxynaphthalen-1-yl) benzoate.

Molecular Properties

Compound Name(8-formyl-5-methoxynaphthalen-1-yl) benzoate
PubChem CID12653578
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name(8-formyl-5-methoxynaphthalen-1-yl) benzoate
SMILESCOc1ccc(C=O)c2c(OC(=O)c3ccccc3)cccc12
InChIInChI=1S/C19H14O4/c1-22-16-11-10-14(12-20)18-15(16)8-5-9-17(18)23-19(21)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeyLJYBWHMZSGOWTQ-UHFFFAOYSA-N
XLogP3.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-3-formyl-6-methoxyphenyl) benzoate
CID 175333431
(4-formyl-2,5-dimethoxyphenyl) benzoate
CID 71512769
4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde
CID 166107369
8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde
CID 166107364
(2-acetyl-3-methoxyphenyl) benzoate
CID 14572161
(2-formyl-6-methoxyphenyl) 3-fluorobenzoate
CID 39199689
(2-formyl-6-methoxyphenyl) 4-nitrobenzoate
CID 804045
(5-hydroxynaphthalen-1-yl) benzoate
CID 646429
4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11339020
(2-formylphenyl) 3-bromo-4-methoxybenzoate
CID 4924107
(2-formyl-6-methoxyphenyl) 3-bromo-4-methoxybenzoate
CID 4924691
(2,6-dimethoxyphenyl) 4-phenoxybenzoate
CID 7934769

Frequently Asked Questions

What is the IUPAC name of (8-formyl-5-methoxynaphthalen-1-yl) benzoate?
The IUPAC name of (8-formyl-5-methoxynaphthalen-1-yl) benzoate (CID 12653578) is (8-formyl-5-methoxynaphthalen-1-yl) benzoate.
What is the SMILES notation for (8-formyl-5-methoxynaphthalen-1-yl) benzoate?
The canonical SMILES for (8-formyl-5-methoxynaphthalen-1-yl) benzoate is COc1ccc(C=O)c2c(OC(=O)c3ccccc3)cccc12.
What is the InChIKey of (8-formyl-5-methoxynaphthalen-1-yl) benzoate?
The InChIKey is LJYBWHMZSGOWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-22-16-11-10-14(12-20)18-15(16)8-5-9-17(18)23-19(21)13-6-3-2-4-7-13/h2-12H,1H3.
What are the key properties of (8-formyl-5-methoxynaphthalen-1-yl) benzoate?
(8-formyl-5-methoxynaphthalen-1-yl) benzoate has a molecular weight of 306.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-formyl-5-methoxynaphthalen-1-yl) benzoate is sourced from PubChem (CID 12653578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).