3-(4-ethenylphenyl)propyl carbonochloridate

C12H13ClO2 — CID 139984757

IUPAC3-(4-ethenylphenyl)propyl carbonochloridate
SMILESC=Cc1ccc(CCCOC(=O)Cl)cc1
InChIInChI=1S/C12H13ClO2/c1-2-10-5-7-11(8-6-10)4-3-9-15-12(13)14/h2,5-8H,1,3-4,9H2
InChIKeyXFTAQUQNRHLASD-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.64
Rot. Bonds5

About 3-(4-ethenylphenyl)propyl carbonochloridate

3-(4-ethenylphenyl)propyl carbonochloridate (PubChem CID 139984757) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-(4-ethenylphenyl)propyl carbonochloridate.

Molecular Properties

Compound Name3-(4-ethenylphenyl)propyl carbonochloridate
PubChem CID139984757
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name3-(4-ethenylphenyl)propyl carbonochloridate
SMILESC=Cc1ccc(CCCOC(=O)Cl)cc1
InChIInChI=1S/C12H13ClO2/c1-2-10-5-7-11(8-6-10)4-3-9-15-12(13)14/h2,5-8H,1,3-4,9H2
InChIKeyXFTAQUQNRHLASD-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethenylphenyl)propyl prop-2-enoate
CID 163299713
2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate
CID 154622094
(4-ethenylphenyl)methyl 5-phenylpentanoate
CID 102362530
3-(4-ethenylphenyl)propane-1-thiol
CID 59552728
6-(4-ethenylphenyl)hexan-1-amine;hydrochloride
CID 71420169
trichloro-[3-(4-ethenylphenyl)propyl]silane
CID 174075092
2,4,6,8-tetrakis[3-(4-ethenylphenyl)propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 67266291
bis[(4-ethenylphenyl)methyl] hexanedioate
CID 23558427
1-(2-ethenoxyethyl)-4-ethenylbenzene
CID 23031073
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenylphenyl)propyl carbonochloridate?
The IUPAC name of 3-(4-ethenylphenyl)propyl carbonochloridate (CID 139984757) is 3-(4-ethenylphenyl)propyl carbonochloridate.
What is the SMILES notation for 3-(4-ethenylphenyl)propyl carbonochloridate?
The canonical SMILES for 3-(4-ethenylphenyl)propyl carbonochloridate is C=Cc1ccc(CCCOC(=O)Cl)cc1.
What is the InChIKey of 3-(4-ethenylphenyl)propyl carbonochloridate?
The InChIKey is XFTAQUQNRHLASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-2-10-5-7-11(8-6-10)4-3-9-15-12(13)14/h2,5-8H,1,3-4,9H2.
What are the key properties of 3-(4-ethenylphenyl)propyl carbonochloridate?
3-(4-ethenylphenyl)propyl carbonochloridate has a molecular weight of 224.69 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenylphenyl)propyl carbonochloridate is sourced from PubChem (CID 139984757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).