propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate

C14H19ClO3 — CID 82553264

IUPACpropan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate
SMILESCCOc1cc(C)c(Cl)cc1CC(=O)OC(C)C
InChIInChI=1S/C14H19ClO3/c1-5-17-13-6-10(4)12(15)7-11(13)8-14(16)18-9(2)3/h6-7,9H,5,8H2,1-4H3
InChIKeyPJFGMTZMMBMHGN-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.54
Rot. Bonds5

About propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate

propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate (PubChem CID 82553264) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate
PubChem CID82553264
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Namepropan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate
SMILESCCOc1cc(C)c(Cl)cc1CC(=O)OC(C)C
InChIInChI=1S/C14H19ClO3/c1-5-17-13-6-10(4)12(15)7-11(13)8-14(16)18-9(2)3/h6-7,9H,5,8H2,1-4H3
InChIKeyPJFGMTZMMBMHGN-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(5-chloro-4-methyl-2-propoxyphenyl)acetate
CID 82553246
3-amino-3-(5-chloro-2-ethoxy-4-methylphenyl)propanoic acid
CID 4021596
1-chloro-4-ethoxy-5-(3-fluoropropyl)-2-methylbenzene
CID 83937619
1-(3-bromopropyl)-5-chloro-2-ethoxy-4-methylbenzene
CID 83937584
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol
CID 83937598
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
ethyl 2-(5-chloro-2-fluoro-4-methylphenyl)acetate
CID 134614344
methyl 4-(5-chloro-2-ethoxy-4-methylphenyl)-4-oxobutanoate
CID 82553262
2-[5-chloro-2-(difluoromethoxy)-4-methylphenyl]acetic acid
CID 171005300
propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate
CID 82553210
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
CID 110781893

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate?
The IUPAC name of propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate (CID 82553264) is propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate.
What is the SMILES notation for propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate?
The canonical SMILES for propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate is CCOc1cc(C)c(Cl)cc1CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate?
The InChIKey is PJFGMTZMMBMHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-5-17-13-6-10(4)12(15)7-11(13)8-14(16)18-9(2)3/h6-7,9H,5,8H2,1-4H3.
What are the key properties of propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate?
propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate has a molecular weight of 270.76 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate is sourced from PubChem (CID 82553264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).