1-hydroxyethyl 2-chloroprop-2-enoate

C5H7ClO3 — CID 22155739

IUPAC1-hydroxyethyl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OC(C)O
InChIInChI=1S/C5H7ClO3/c1-3(6)5(8)9-4(2)7/h4,7H,1H2,2H3
InChIKeyGDNIKHPGHXHADO-UHFFFAOYSA-N
MW150.56 g/mol
LogP0.62
Rot. Bonds2

About 1-hydroxyethyl 2-chloroprop-2-enoate

1-hydroxyethyl 2-chloroprop-2-enoate (PubChem CID 22155739) has the molecular formula C5H7ClO3 and a molecular weight of 150.56 g/mol. Its IUPAC name is 1-hydroxyethyl 2-chloroprop-2-enoate.

Molecular Properties

Compound Name1-hydroxyethyl 2-chloroprop-2-enoate
PubChem CID22155739
Molecular FormulaC5H7ClO3
Molecular Weight150.56 g/mol
Exact Mass150.01
IUPAC Name1-hydroxyethyl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OC(C)O
InChIInChI=1S/C5H7ClO3/c1-3(6)5(8)9-4(2)7/h4,7H,1H2,2H3
InChIKeyGDNIKHPGHXHADO-UHFFFAOYSA-N
XLogP0.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxybutan-2-yl 2-chloroprop-2-enoate
CID 87235238
(1-hydroxy-2-methylpropyl) 2-chloroprop-2-enoate
CID 87235484
1-trimethoxysilylethyl 2-chloroprop-2-enoate
CID 88820893
1-hydroxyethyl 4-methyl-2-methylidenepentanoate
CID 175422491
propan-2-yl carbonochloridate
CID 7917
1-hydroxyethyl 2-amino-3-methylbutanoate
CID 87071351
1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 140721028
but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate
CID 87377367
1-hydroxyethyl 2-bromoacetate
CID 139604093
1-(3-hydroxypropoxy)propyl 2-chloroprop-2-enoate
CID 88836592
propan-2-yl 2-methylprop-2-enoate
CID 146421311
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl 2-chloroprop-2-enoate?
The IUPAC name of 1-hydroxyethyl 2-chloroprop-2-enoate (CID 22155739) is 1-hydroxyethyl 2-chloroprop-2-enoate.
What is the SMILES notation for 1-hydroxyethyl 2-chloroprop-2-enoate?
The canonical SMILES for 1-hydroxyethyl 2-chloroprop-2-enoate is C=C(Cl)C(=O)OC(C)O.
What is the InChIKey of 1-hydroxyethyl 2-chloroprop-2-enoate?
The InChIKey is GDNIKHPGHXHADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO3/c1-3(6)5(8)9-4(2)7/h4,7H,1H2,2H3.
What are the key properties of 1-hydroxyethyl 2-chloroprop-2-enoate?
1-hydroxyethyl 2-chloroprop-2-enoate has a molecular weight of 150.56 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl 2-chloroprop-2-enoate is sourced from PubChem (CID 22155739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).