naphthalen-1-ylmethyl propanoate

C14H14O2 — CID 13262702

IUPACnaphthalen-1-ylmethyl propanoate
SMILESCCC(=O)OCc1cccc2ccccc12
InChIInChI=1S/C14H14O2/c1-2-14(15)16-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3
InChIKeyXTWNWFAPWQBZRT-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.29
Rot. Bonds3

About naphthalen-1-ylmethyl propanoate

naphthalen-1-ylmethyl propanoate (PubChem CID 13262702) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is naphthalen-1-ylmethyl propanoate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl propanoate
PubChem CID13262702
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Namenaphthalen-1-ylmethyl propanoate
SMILESCCC(=O)OCc1cccc2ccccc12
InChIInChI=1S/C14H14O2/c1-2-14(15)16-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3
InChIKeyXTWNWFAPWQBZRT-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(naphthalen-1-ylmethoxy)-3-oxopropanoic acid
CID 19783487
pyren-1-ylmethyl propanoate
CID 101198857
naphthalen-1-ylmethyl N-ethylcarbamate
CID 139990746
(3-hydroxy-2-methylphenyl)methyl propanoate
CID 175764363
1-naphthalen-1-ylbutan-2-one
CID 4564544
naphthalen-1-ylmethyl 4-ethyl-2,4-dimethyl-2-(3-methylpentan-3-yl)hexanoate
CID 123632756
methyl 2-(propanoyloxymethyl)benzoate
CID 20717774
naphthalen-1-ylmethyl 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7221754
acetyl 2-hydroxy-3-naphthalen-1-ylpropanoate
CID 139612906
naphthalen-1-ylmethyl 3-phenylprop-2-ynoate
CID 14782739
azane;1-ethylnaphthalene
CID 19048185
benzyl propanoate;hydrochloride
CID 140986165

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl propanoate?
The IUPAC name of naphthalen-1-ylmethyl propanoate (CID 13262702) is naphthalen-1-ylmethyl propanoate.
What is the SMILES notation for naphthalen-1-ylmethyl propanoate?
The canonical SMILES for naphthalen-1-ylmethyl propanoate is CCC(=O)OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl propanoate?
The InChIKey is XTWNWFAPWQBZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-2-14(15)16-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3.
What are the key properties of naphthalen-1-ylmethyl propanoate?
naphthalen-1-ylmethyl propanoate has a molecular weight of 214.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl propanoate is sourced from PubChem (CID 13262702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).