methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate

C19H20O3 — CID 10827780

IUPACmethyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate
SMILESCOC(=O)c1cccc(COc2ccccc2C=C(C)C)c1
InChIInChI=1S/C19H20O3/c1-14(2)11-16-8-4-5-10-18(16)22-13-15-7-6-9-17(12-15)19(20)21-3/h4-12H,13H2,1-3H3
InChIKeyQQROMEOJZQZNTD-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.48
Rot. Bonds5

About methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate

methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate (PubChem CID 10827780) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate
PubChem CID10827780
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Namemethyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate
SMILESCOC(=O)c1cccc(COc2ccccc2C=C(C)C)c1
InChIInChI=1S/C19H20O3/c1-14(2)11-16-8-4-5-10-18(16)22-13-15-7-6-9-17(12-15)19(20)21-3/h4-12H,13H2,1-3H3
InChIKeyQQROMEOJZQZNTD-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate 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 3-[[2-(difluoromethyl)phenoxy]methyl]benzoate
CID 155146099
methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 70346485
methyl 4-[[2-[3-(benzylamino)-2-(benzylcarbamoyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 4654190
methyl 3-[[2-[(2-methylphenyl)carbamoyl]phenoxy]methyl]benzoate
CID 2995814
methyl 3-(isoquinolin-5-yloxymethyl)benzoate
CID 86198965
methyl 3,5-dibromo-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 18973794
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
methyl 3-[(3,6-diamino-2-hydrazinyl-4-pyridinyl)oxymethyl]benzoate
CID 126680550
methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
CID 175245532
tert-butyl 3-[[2-(2-methoxy-2-oxoethyl)phenoxy]methyl]benzoate
CID 68667374
methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate
CID 10041568

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate?
The IUPAC name of methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate (CID 10827780) is methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate?
The canonical SMILES for methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate is COC(=O)c1cccc(COc2ccccc2C=C(C)C)c1.
What is the InChIKey of methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate?
The InChIKey is QQROMEOJZQZNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-14(2)11-16-8-4-5-10-18(16)22-13-15-7-6-9-17(12-15)19(20)21-3/h4-12H,13H2,1-3H3.
What are the key properties of methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate?
methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate has a molecular weight of 296.37 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate is sourced from PubChem (CID 10827780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).