[4-(cyclopropylmethoxy)phenyl] acetate

C12H14O3 — CID 91264469

IUPAC[4-(cyclopropylmethoxy)phenyl] acetate
SMILESCC(=O)Oc1ccc(OCC2CC2)cc1
InChIInChI=1S/C12H14O3/c1-9(13)15-12-6-4-11(5-7-12)14-8-10-2-3-10/h4-7,10H,2-3,8H2,1H3
InChIKeyMFCDFTQPYAIKLD-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.40
Rot. Bonds4

About [4-(cyclopropylmethoxy)phenyl] acetate

[4-(cyclopropylmethoxy)phenyl] acetate (PubChem CID 91264469) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [4-(cyclopropylmethoxy)phenyl] acetate.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)phenyl] acetate
PubChem CID91264469
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[4-(cyclopropylmethoxy)phenyl] acetate
SMILESCC(=O)Oc1ccc(OCC2CC2)cc1
InChIInChI=1S/C12H14O3/c1-9(13)15-12-6-4-11(5-7-12)14-8-10-2-3-10/h4-7,10H,2-3,8H2,1H3
InChIKeyMFCDFTQPYAIKLD-UHFFFAOYSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate
CID 139651935
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
[4-[(4-ethylcyclohexyl)methoxy]phenyl] 4-(2-acetyloxyethoxy)benzoate
CID 23516353
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
[4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate
CID 68983653
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280
[4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate
CID 175326485
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
(4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate
CID 89467653
1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one
CID 115495368
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
[2-[4-(cyclohexylmethoxy)phenyl]cyclohexyl] acetate
CID 139617619

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxy)phenyl] acetate?
The IUPAC name of [4-(cyclopropylmethoxy)phenyl] acetate (CID 91264469) is [4-(cyclopropylmethoxy)phenyl] acetate.
What is the SMILES notation for [4-(cyclopropylmethoxy)phenyl] acetate?
The canonical SMILES for [4-(cyclopropylmethoxy)phenyl] acetate is CC(=O)Oc1ccc(OCC2CC2)cc1.
What is the InChIKey of [4-(cyclopropylmethoxy)phenyl] acetate?
The InChIKey is MFCDFTQPYAIKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(13)15-12-6-4-11(5-7-12)14-8-10-2-3-10/h4-7,10H,2-3,8H2,1H3.
What are the key properties of [4-(cyclopropylmethoxy)phenyl] acetate?
[4-(cyclopropylmethoxy)phenyl] acetate has a molecular weight of 206.24 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxy)phenyl] acetate is sourced from PubChem (CID 91264469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).