2-methylpropyl 4-phenylmethoxybenzoate

C18H20O3 — CID 19702441

IUPAC2-methylpropyl 4-phenylmethoxybenzoate
SMILESCC(C)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-14(2)12-21-18(19)16-8-10-17(11-9-16)20-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeyPIVCDBUAPXREMS-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.08
Rot. Bonds6

About 2-methylpropyl 4-phenylmethoxybenzoate

2-methylpropyl 4-phenylmethoxybenzoate (PubChem CID 19702441) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methylpropyl 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name2-methylpropyl 4-phenylmethoxybenzoate
PubChem CID19702441
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-methylpropyl 4-phenylmethoxybenzoate
SMILESCC(C)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-14(2)12-21-18(19)16-8-10-17(11-9-16)20-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeyPIVCDBUAPXREMS-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate
CID 82186361
2,3-dihydroxypropyl 4-phenylmethoxybenzoate
CID 71423626
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 14985162
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
benzyl 4-(3-amino-2-methylpropoxy)benzoate;hydrochloride
CID 175789859
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
[4-(2-methylpropoxycarbonyl)phenyl] 4-(2-methylpropoxy)benzoate
CID 17149614
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
acetamido 4-phenylmethoxybenzoate
CID 174287466
benzyl 4-propan-2-yloxybenzoate
CID 70079883
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-phenylmethoxybenzoate?
The IUPAC name of 2-methylpropyl 4-phenylmethoxybenzoate (CID 19702441) is 2-methylpropyl 4-phenylmethoxybenzoate.
What is the SMILES notation for 2-methylpropyl 4-phenylmethoxybenzoate?
The canonical SMILES for 2-methylpropyl 4-phenylmethoxybenzoate is CC(C)COC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-methylpropyl 4-phenylmethoxybenzoate?
The InChIKey is PIVCDBUAPXREMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-14(2)12-21-18(19)16-8-10-17(11-9-16)20-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 2-methylpropyl 4-phenylmethoxybenzoate?
2-methylpropyl 4-phenylmethoxybenzoate has a molecular weight of 284.36 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-phenylmethoxybenzoate is sourced from PubChem (CID 19702441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).