(1-formylnaphthalen-2-yl) 4-methoxybenzoate

C19H14O4 — CID 4778907

IUPAC(1-formylnaphthalen-2-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=O)cc1
InChIInChI=1S/C19H14O4/c1-22-15-9-6-14(7-10-15)19(21)23-18-11-8-13-4-2-3-5-16(13)17(18)12-20/h2-12H,1H3
InChIKeyKUHRRHWPKXJFGM-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.88
Rot. Bonds4

About (1-formylnaphthalen-2-yl) 4-methoxybenzoate

(1-formylnaphthalen-2-yl) 4-methoxybenzoate (PubChem CID 4778907) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is (1-formylnaphthalen-2-yl) 4-methoxybenzoate.

Molecular Properties

Compound Name(1-formylnaphthalen-2-yl) 4-methoxybenzoate
PubChem CID4778907
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name(1-formylnaphthalen-2-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=O)cc1
InChIInChI=1S/C19H14O4/c1-22-15-9-6-14(7-10-15)19(21)23-18-11-8-13-4-2-3-5-16(13)17(18)12-20/h2-12H,1H3
InChIKeyKUHRRHWPKXJFGM-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

[1-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6186341
(1-formylnaphthalen-2-yl) acetate
CID 2063426
[1-[[(4-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3871773
[1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6017514
[1-[(phenylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 4585414
[1-[[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 3684218
[1-[[(3-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3714949
(1-formylnaphthalen-2-yl) 2-fluorobenzoate
CID 40567233
[1-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3422848
[1-[[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3557249
[1-[(Z)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6274028
[1-[[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 5113976

Frequently Asked Questions

What is the IUPAC name of (1-formylnaphthalen-2-yl) 4-methoxybenzoate?
The IUPAC name of (1-formylnaphthalen-2-yl) 4-methoxybenzoate (CID 4778907) is (1-formylnaphthalen-2-yl) 4-methoxybenzoate.
What is the SMILES notation for (1-formylnaphthalen-2-yl) 4-methoxybenzoate?
The canonical SMILES for (1-formylnaphthalen-2-yl) 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc3ccccc3c2C=O)cc1.
What is the InChIKey of (1-formylnaphthalen-2-yl) 4-methoxybenzoate?
The InChIKey is KUHRRHWPKXJFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-22-15-9-6-14(7-10-15)19(21)23-18-11-8-13-4-2-3-5-16(13)17(18)12-20/h2-12H,1H3.
What are the key properties of (1-formylnaphthalen-2-yl) 4-methoxybenzoate?
(1-formylnaphthalen-2-yl) 4-methoxybenzoate 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 (1-formylnaphthalen-2-yl) 4-methoxybenzoate is sourced from PubChem (CID 4778907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).