5-(4-methoxynaphthalen-1-yl)oxolan-2-one

C15H14O3 — CID 103439901

IUPAC5-(4-methoxynaphthalen-1-yl)oxolan-2-one
SMILESCOc1ccc(C2CCC(=O)O2)c2ccccc12
InChIInChI=1S/C15H14O3/c1-17-13-7-6-12(14-8-9-15(16)18-14)10-4-2-3-5-11(10)13/h2-7,14H,8-9H2,1H3
InChIKeySFMUTMRCOQLSSR-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.23
Rot. Bonds2

About 5-(4-methoxynaphthalen-1-yl)oxolan-2-one

5-(4-methoxynaphthalen-1-yl)oxolan-2-one (PubChem CID 103439901) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-(4-methoxynaphthalen-1-yl)oxolan-2-one.

Molecular Properties

Compound Name5-(4-methoxynaphthalen-1-yl)oxolan-2-one
PubChem CID103439901
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name5-(4-methoxynaphthalen-1-yl)oxolan-2-one
SMILESCOc1ccc(C2CCC(=O)O2)c2ccccc12
InChIInChI=1S/C15H14O3/c1-17-13-7-6-12(14-8-9-15(16)18-14)10-4-2-3-5-11(10)13/h2-7,14H,8-9H2,1H3
InChIKeySFMUTMRCOQLSSR-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(2-methoxyphenyl)oxolan-2-one
CID 10750262
ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one
CID 163229025
(4R)-4-(4-methoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188689
5-phenyloxolan-2-one
CID 13884
(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride
CID 171196102
methyl (4S)-4-(4-methoxynaphthalen-1-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 838219
(1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene
CID 15568466
5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole
CID 142854255
5-(2,5-dimethylphenyl)oxolan-2-one
CID 11805522
(4R)-4-(4-methoxynaphthalen-1-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125433547
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one
CID 103439665

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxynaphthalen-1-yl)oxolan-2-one?
The IUPAC name of 5-(4-methoxynaphthalen-1-yl)oxolan-2-one (CID 103439901) is 5-(4-methoxynaphthalen-1-yl)oxolan-2-one.
What is the SMILES notation for 5-(4-methoxynaphthalen-1-yl)oxolan-2-one?
The canonical SMILES for 5-(4-methoxynaphthalen-1-yl)oxolan-2-one is COc1ccc(C2CCC(=O)O2)c2ccccc12.
What is the InChIKey of 5-(4-methoxynaphthalen-1-yl)oxolan-2-one?
The InChIKey is SFMUTMRCOQLSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-17-13-7-6-12(14-8-9-15(16)18-14)10-4-2-3-5-11(10)13/h2-7,14H,8-9H2,1H3.
What are the key properties of 5-(4-methoxynaphthalen-1-yl)oxolan-2-one?
5-(4-methoxynaphthalen-1-yl)oxolan-2-one has a molecular weight of 242.27 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxynaphthalen-1-yl)oxolan-2-one is sourced from PubChem (CID 103439901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).