[4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate

C14H18O4 — CID 68983653

IUPAC[4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate
SMILESCOc1cc(OC(C)=O)ccc1OCC1CCC1
InChIInChI=1S/C14H18O4/c1-10(15)18-12-6-7-13(14(8-12)16-2)17-9-11-4-3-5-11/h6-8,11H,3-5,9H2,1-2H3
InChIKeyUEHNUOQFOJSSNE-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.80
Rot. Bonds5

About [4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate

[4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate (PubChem CID 68983653) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is [4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate
PubChem CID68983653
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name[4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate
SMILESCOc1cc(OC(C)=O)ccc1OCC1CCC1
InChIInChI=1S/C14H18O4/c1-10(15)18-12-6-7-13(14(8-12)16-2)17-9-11-4-3-5-11/h6-8,11H,3-5,9H2,1-2H3
InChIKeyUEHNUOQFOJSSNE-UHFFFAOYSA-N
XLogP2.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethoxyphenyl) acetate
CID 593001
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
cyclohexylmethyl 4-acetyloxy-3-methoxybenzoate
CID 75430384
4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
CID 61343201
1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one
CID 117368520
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
(4-formyl-3-methoxyphenyl) acetate
CID 22633336
[4-(hydroxymethyl)-3-methoxyphenyl] acetate
CID 57125799
3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid
CID 117053439
2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid
CID 117417115
(4-methoxy-3-propan-2-yloxyphenyl) acetate
CID 10656751
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767

Frequently Asked Questions

What is the IUPAC name of [4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate?
The IUPAC name of [4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate (CID 68983653) is [4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate.
What is the SMILES notation for [4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate?
The canonical SMILES for [4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate is COc1cc(OC(C)=O)ccc1OCC1CCC1.
What is the InChIKey of [4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate?
The InChIKey is UEHNUOQFOJSSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-10(15)18-12-6-7-13(14(8-12)16-2)17-9-11-4-3-5-11/h6-8,11H,3-5,9H2,1-2H3.
What are the key properties of [4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate?
[4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate has a molecular weight of 250.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate is sourced from PubChem (CID 68983653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).