3-(3-chlorophenyl)propyl 2-methylprop-2-enoate

C13H15ClO2 — CID 163407359

IUPAC3-(3-chlorophenyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1cccc(Cl)c1
InChIInChI=1S/C13H15ClO2/c1-10(2)13(15)16-8-4-6-11-5-3-7-12(14)9-11/h3,5,7,9H,1,4,6,8H2,2H3
InChIKeyLISMOVMZCLPTFM-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.39
Rot. Bonds5

About 3-(3-chlorophenyl)propyl 2-methylprop-2-enoate

3-(3-chlorophenyl)propyl 2-methylprop-2-enoate (PubChem CID 163407359) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 3-(3-chlorophenyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(3-chlorophenyl)propyl 2-methylprop-2-enoate
PubChem CID163407359
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name3-(3-chlorophenyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1cccc(Cl)c1
InChIInChI=1S/C13H15ClO2/c1-10(2)13(15)16-8-4-6-11-5-3-7-12(14)9-11/h3,5,7,9H,1,4,6,8H2,2H3
InChIKeyLISMOVMZCLPTFM-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 175978198
CID 175978198
4-(3-methylphenyl)butyl 2-methylprop-2-enoate
CID 174548240
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
ethyl 5-(3-chlorophenyl)-2-methylidenepentanoate
CID 12932093
2-[3-(3-methylphenyl)propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 130199618
3-phenylpropyl 2-[(3-chlorophenyl)methylidene]-3-oxobutanoate
CID 69075917
4-(3,4-dihydroxyphenyl)butyl 2-methylprop-2-enoate
CID 167431322
8-(3,4-dihydroxyphenyl)octyl 2-methylprop-2-enoate
CID 177344511
3-[4-(dimethylamino)phenyl]propyl 2-methylprop-2-enoate
CID 152697543
4-pyridin-4-ylbutyl 2-methylprop-2-enoate
CID 139844492
3-[3-(5-chlorobenzotriazol-2-yl)-5-[[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]methyl]-4-hydroxyphenyl]propyl 2-methylprop-2-enoate
CID 18474460
3-[3-(5-chlorobenzotriazol-2-yl)-5-ethyl-4-hydroxyphenyl]propyl 2-methylprop-2-enoate
CID 59915533

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(3-chlorophenyl)propyl 2-methylprop-2-enoate (CID 163407359) is 3-(3-chlorophenyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(3-chlorophenyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(3-chlorophenyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)propyl 2-methylprop-2-enoate?
The InChIKey is LISMOVMZCLPTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-10(2)13(15)16-8-4-6-11-5-3-7-12(14)9-11/h3,5,7,9H,1,4,6,8H2,2H3.
What are the key properties of 3-(3-chlorophenyl)propyl 2-methylprop-2-enoate?
3-(3-chlorophenyl)propyl 2-methylprop-2-enoate has a molecular weight of 238.71 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 163407359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).