benzyl propanoate;hydrochloride

C10H13ClO2 — CID 140986165

IUPACbenzyl propanoate;hydrochloride
SMILESCCC(=O)OCc1ccccc1.Cl
InChIInChI=1S/C10H12O2.ClH/c1-2-10(11)12-8-9-6-4-3-5-7-9;/h3-7H,2,8H2,1H3;1H
InChIKeyQDMYHUCSLWDYDO-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.56
Rot. Bonds3

About benzyl propanoate;hydrochloride

benzyl propanoate;hydrochloride (PubChem CID 140986165) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is benzyl propanoate;hydrochloride.

Molecular Properties

Compound Namebenzyl propanoate;hydrochloride
PubChem CID140986165
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Namebenzyl propanoate;hydrochloride
SMILESCCC(=O)OCc1ccccc1.Cl
InChIInChI=1S/C10H12O2.ClH/c1-2-10(11)12-8-9-6-4-3-5-7-9;/h3-7H,2,8H2,1H3;1H
InChIKeyQDMYHUCSLWDYDO-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzyl propanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl propanoate;butyl propanoate
CID 19966788
benzyl propanoate;methyl benzoate
CID 70307580
benzyl 4-propanoyloxybutanoate
CID 163613543
(3-phenylphenyl)methyl propanoate
CID 67574989
benzyl butanoate;propanoic acid
CID 175271849
benzyl 2-aminoacetate;hydrochloride
CID 11701227
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
benzyl 3,4-dimethylhexanoate
CID 123356915
4-O-benzyl 1-O-ethyl (2S)-2-hydroxybutanedioate
CID 102323442
[4-(aminomethyl)phenyl]methyl propanoate
CID 166101936
benzyl 2-aminoacetate
CID 122130027
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920

Frequently Asked Questions

What is the IUPAC name of benzyl propanoate;hydrochloride?
The IUPAC name of benzyl propanoate;hydrochloride (CID 140986165) is benzyl propanoate;hydrochloride.
What is the SMILES notation for benzyl propanoate;hydrochloride?
The canonical SMILES for benzyl propanoate;hydrochloride is CCC(=O)OCc1ccccc1.Cl.
What is the InChIKey of benzyl propanoate;hydrochloride?
The InChIKey is QDMYHUCSLWDYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.ClH/c1-2-10(11)12-8-9-6-4-3-5-7-9;/h3-7H,2,8H2,1H3;1H.
What are the key properties of benzyl propanoate;hydrochloride?
benzyl propanoate;hydrochloride has a molecular weight of 200.66 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl propanoate;hydrochloride is sourced from PubChem (CID 140986165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).