(2-methoxyphenyl) 2-naphthalen-1-ylacetate

C19H16O3 — CID 836864

IUPAC(2-methoxyphenyl) 2-naphthalen-1-ylacetate
SMILESCOc1ccccc1OC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H16O3/c1-21-17-11-4-5-12-18(17)22-19(20)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3
InChIKeySDNYDTGCHIPKIY-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.00
Rot. Bonds4

About (2-methoxyphenyl) 2-naphthalen-1-ylacetate

(2-methoxyphenyl) 2-naphthalen-1-ylacetate (PubChem CID 836864) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-naphthalen-1-ylacetate
PubChem CID836864
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name(2-methoxyphenyl) 2-naphthalen-1-ylacetate
SMILESCOc1ccccc1OC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H16O3/c1-21-17-11-4-5-12-18(17)22-19(20)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3
InChIKeySDNYDTGCHIPKIY-UHFFFAOYSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate
CID 8764296
N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 3480178
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
(2-methoxyphenyl) 2-methoxyacetate
CID 53423767
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
naphthalen-1-yl 2-methoxyacetate
CID 19894343
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625312
naphthalen-1-yl 2-methoxyacetate;hydrochloride
CID 19894342
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
CID 7503589
formyl 2-naphthalen-1-ylacetate
CID 57137392

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-naphthalen-1-ylacetate?
The IUPAC name of (2-methoxyphenyl) 2-naphthalen-1-ylacetate (CID 836864) is (2-methoxyphenyl) 2-naphthalen-1-ylacetate.
What is the SMILES notation for (2-methoxyphenyl) 2-naphthalen-1-ylacetate?
The canonical SMILES for (2-methoxyphenyl) 2-naphthalen-1-ylacetate is COc1ccccc1OC(=O)Cc1cccc2ccccc12.
What is the InChIKey of (2-methoxyphenyl) 2-naphthalen-1-ylacetate?
The InChIKey is SDNYDTGCHIPKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-21-17-11-4-5-12-18(17)22-19(20)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3.
What are the key properties of (2-methoxyphenyl) 2-naphthalen-1-ylacetate?
(2-methoxyphenyl) 2-naphthalen-1-ylacetate has a molecular weight of 292.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-naphthalen-1-ylacetate is sourced from PubChem (CID 836864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).