2-prop-2-enoxybenzoic acid;hydrochloride

C10H11ClO3 — CID 70025071

IUPAC2-prop-2-enoxybenzoic acid;hydrochloride
SMILESC=CCOc1ccccc1C(=O)O.Cl
InChIInChI=1S/C10H10O3.ClH/c1-2-7-13-9-6-4-3-5-8(9)10(11)12;/h2-6H,1,7H2,(H,11,12);1H
InChIKeyOGJGEMRJOKSSBB-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.37
Rot. Bonds4

About 2-prop-2-enoxybenzoic acid;hydrochloride

2-prop-2-enoxybenzoic acid;hydrochloride (PubChem CID 70025071) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-prop-2-enoxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name2-prop-2-enoxybenzoic acid;hydrochloride
PubChem CID70025071
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-prop-2-enoxybenzoic acid;hydrochloride
SMILESC=CCOc1ccccc1C(=O)O.Cl
InChIInChI=1S/C10H10O3.ClH/c1-2-7-13-9-6-4-3-5-8(9)10(11)12;/h2-6H,1,7H2,(H,11,12);1H
InChIKeyOGJGEMRJOKSSBB-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 70191473
CID 70191473
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773
2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
CID 12579607
5-fluoro-2-prop-2-enoxybenzoic acid
CID 63674181
2-(fluoromethoxy)benzoic acid;hydrochloride
CID 141112682
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 43357329
2-[2-(prop-2-enoxycarbonylamino)ethoxy]benzoic acid
CID 166000723
piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119403725
phenyl-(2-prop-2-enoxyphenyl)methanethione
CID 14227059

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxybenzoic acid;hydrochloride?
The IUPAC name of 2-prop-2-enoxybenzoic acid;hydrochloride (CID 70025071) is 2-prop-2-enoxybenzoic acid;hydrochloride.
What is the SMILES notation for 2-prop-2-enoxybenzoic acid;hydrochloride?
The canonical SMILES for 2-prop-2-enoxybenzoic acid;hydrochloride is C=CCOc1ccccc1C(=O)O.Cl.
What is the InChIKey of 2-prop-2-enoxybenzoic acid;hydrochloride?
The InChIKey is OGJGEMRJOKSSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.ClH/c1-2-7-13-9-6-4-3-5-8(9)10(11)12;/h2-6H,1,7H2,(H,11,12);1H.
What are the key properties of 2-prop-2-enoxybenzoic acid;hydrochloride?
2-prop-2-enoxybenzoic acid;hydrochloride has a molecular weight of 214.65 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxybenzoic acid;hydrochloride is sourced from PubChem (CID 70025071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).