3-methylbutyl 2-(4-methoxyphenyl)acetate

C14H20O3 — CID 15721358

IUPAC3-methylbutyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCCC(C)C)cc1
InChIInChI=1S/C14H20O3/c1-11(2)8-9-17-14(15)10-12-4-6-13(16-3)7-5-12/h4-7,11H,8-10H2,1-3H3
InChIKeyLDVGPLBIEHGPRI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.83
Rot. Bonds6

About 3-methylbutyl 2-(4-methoxyphenyl)acetate

3-methylbutyl 2-(4-methoxyphenyl)acetate (PubChem CID 15721358) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-methylbutyl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name3-methylbutyl 2-(4-methoxyphenyl)acetate
PubChem CID15721358
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-methylbutyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCCC(C)C)cc1
InChIInChI=1S/C14H20O3/c1-11(2)8-9-17-14(15)10-12-4-6-13(16-3)7-5-12/h4-7,11H,8-10H2,1-3H3
InChIKeyLDVGPLBIEHGPRI-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
3-methylbutyl 2-phenylacetate
CID 7600
2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
CID 118031006
ethoxybenzene;3-methylbutyl 2-phenylacetate
CID 174913465
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate
CID 2519882
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
decyl 2-[4-(4-methoxyphenyl)phenyl]acetate
CID 121329524
3-methylbutyl 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)acetate
CID 154418602
4-methylpentyl 2-[4-(1-ethoxyethoxy)phenyl]acetate
CID 22895835
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate
CID 10448709

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 2-(4-methoxyphenyl)acetate?
The IUPAC name of 3-methylbutyl 2-(4-methoxyphenyl)acetate (CID 15721358) is 3-methylbutyl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for 3-methylbutyl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for 3-methylbutyl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCCC(C)C)cc1.
What is the InChIKey of 3-methylbutyl 2-(4-methoxyphenyl)acetate?
The InChIKey is LDVGPLBIEHGPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11(2)8-9-17-14(15)10-12-4-6-13(16-3)7-5-12/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 3-methylbutyl 2-(4-methoxyphenyl)acetate?
3-methylbutyl 2-(4-methoxyphenyl)acetate has a molecular weight of 236.31 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 15721358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).