methyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate

C14H17ClO2 — CID 70860764

IUPACmethyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate
SMILESCC=C(CC)c1ccc(CC(=O)OC)c(Cl)c1
InChIInChI=1S/C14H17ClO2/c1-4-10(5-2)11-6-7-12(13(15)8-11)9-14(16)17-3/h4,6-8H,5,9H2,1-3H3
InChIKeyAJIGGVGFHRXGQI-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.87
Rot. Bonds4

About methyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate

methyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate (PubChem CID 70860764) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is methyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate
PubChem CID70860764
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Namemethyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate
SMILESCC=C(CC)c1ccc(CC(=O)OC)c(Cl)c1
InChIInChI=1S/C14H17ClO2/c1-4-10(5-2)11-6-7-12(13(15)8-11)9-14(16)17-3/h4,6-8H,5,9H2,1-3H3
InChIKeyAJIGGVGFHRXGQI-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-chloro-4-(N'-hydroxycarbamimidoyl)phenyl]acetate
CID 86683498
methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate
CID 67158729
methyl 3-chloro-4-(isocyanomethyl)benzoate
CID 156627276
1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one
CID 118818873
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737
2-(4-acetyl-2-chlorophenyl)acetic acid
CID 23106770
methyl 2-[4-(aminomethyl)-2-chloro-5-cyanophenyl]acetate
CID 134658171
methyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228358
methyl 2-(4-acetyl-2-iodophenyl)acetate
CID 121231892
fluoro 3-chloro-4-ethylbenzoate
CID 175246982
2-chloro-4-pent-2-en-3-ylpyridine
CID 123768437
methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553977

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate?
The IUPAC name of methyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate (CID 70860764) is methyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate?
The canonical SMILES for methyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate is CC=C(CC)c1ccc(CC(=O)OC)c(Cl)c1.
What is the InChIKey of methyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate?
The InChIKey is AJIGGVGFHRXGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-4-10(5-2)11-6-7-12(13(15)8-11)9-14(16)17-3/h4,6-8H,5,9H2,1-3H3.
What are the key properties of methyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate?
methyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate has a molecular weight of 252.74 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-4-pent-2-en-3-ylphenyl)acetate is sourced from PubChem (CID 70860764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).