naphthalen-2-ylmethyl propanoate;hydrochloride

C14H15ClO2 — CID 174398920

IUPACnaphthalen-2-ylmethyl propanoate;hydrochloride
SMILESCCC(=O)OCc1ccc2ccccc2c1.Cl
InChIInChI=1S/C14H14O2.ClH/c1-2-14(15)16-10-11-7-8-12-5-3-4-6-13(12)9-11;/h3-9H,2,10H2,1H3;1H
InChIKeyMMRMYNPACIGDNS-UHFFFAOYSA-N
MW250.72 g/mol
LogP3.71
Rot. Bonds3

About naphthalen-2-ylmethyl propanoate;hydrochloride

naphthalen-2-ylmethyl propanoate;hydrochloride (PubChem CID 174398920) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is naphthalen-2-ylmethyl propanoate;hydrochloride.

Molecular Properties

Compound Namenaphthalen-2-ylmethyl propanoate;hydrochloride
PubChem CID174398920
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Namenaphthalen-2-ylmethyl propanoate;hydrochloride
SMILESCCC(=O)OCc1ccc2ccccc2c1.Cl
InChIInChI=1S/C14H14O2.ClH/c1-2-14(15)16-10-11-7-8-12-5-3-4-6-13(12)9-11;/h3-9H,2,10H2,1H3;1H
InChIKeyMMRMYNPACIGDNS-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl propanoate;hydrochloride
CID 140986165
naphthalen-2-ylmethyl 4-methylpentanoate
CID 135060928
1-O-(naphthalen-2-ylmethyl) 4-O-pentan-3-yl butanedioate
CID 91717333
5-O-(naphthalen-2-ylmethyl) 1-O-nonyl pentanedioate
CID 91707978
1-O-ethyl 3-O-(naphthalen-2-ylmethyl) 2-ethylpropanedioate
CID 174363846
5-O-(2-methylpropyl) 1-O-(naphthalen-2-ylmethyl) pentanedioate
CID 91717144
4-O-(2,2-dichloroethyl) 1-O-(naphthalen-2-ylmethyl) butanedioate
CID 91717334
(3-phenylphenyl)methyl propanoate
CID 67574989
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
CID 159481428
CID 159481428
[4-(aminomethyl)phenyl]methyl propanoate
CID 166101936
2-(ethoxymethyl)naphthalene
CID 11063138

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylmethyl propanoate;hydrochloride?
The IUPAC name of naphthalen-2-ylmethyl propanoate;hydrochloride (CID 174398920) is naphthalen-2-ylmethyl propanoate;hydrochloride.
What is the SMILES notation for naphthalen-2-ylmethyl propanoate;hydrochloride?
The canonical SMILES for naphthalen-2-ylmethyl propanoate;hydrochloride is CCC(=O)OCc1ccc2ccccc2c1.Cl.
What is the InChIKey of naphthalen-2-ylmethyl propanoate;hydrochloride?
The InChIKey is MMRMYNPACIGDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.ClH/c1-2-14(15)16-10-11-7-8-12-5-3-4-6-13(12)9-11;/h3-9H,2,10H2,1H3;1H.
What are the key properties of naphthalen-2-ylmethyl propanoate;hydrochloride?
naphthalen-2-ylmethyl propanoate;hydrochloride has a molecular weight of 250.72 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethyl propanoate;hydrochloride is sourced from PubChem (CID 174398920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).