(4-methoxy-3-propan-2-yloxyphenyl) acetate

C12H16O4 — CID 10656751

IUPAC(4-methoxy-3-propan-2-yloxyphenyl) acetate
SMILESCOc1ccc(OC(C)=O)cc1OC(C)C
InChIInChI=1S/C12H16O4/c1-8(2)15-12-7-10(16-9(3)13)5-6-11(12)14-4/h5-8H,1-4H3
InChIKeyZHDCGRDGUKZXKI-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.41
Rot. Bonds4

About (4-methoxy-3-propan-2-yloxyphenyl) acetate

(4-methoxy-3-propan-2-yloxyphenyl) acetate (PubChem CID 10656751) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is (4-methoxy-3-propan-2-yloxyphenyl) acetate.

Molecular Properties

Compound Name(4-methoxy-3-propan-2-yloxyphenyl) acetate
PubChem CID10656751
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name(4-methoxy-3-propan-2-yloxyphenyl) acetate
SMILESCOc1ccc(OC(C)=O)cc1OC(C)C
InChIInChI=1S/C12H16O4/c1-8(2)15-12-7-10(16-9(3)13)5-6-11(12)14-4/h5-8H,1-4H3
InChIKeyZHDCGRDGUKZXKI-UHFFFAOYSA-N
XLogP2.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.41
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
(3,4-dimethoxyphenyl) methyl carbonate
CID 175298051
[4-(hydroxymethyl)-3-methoxyphenyl] acetate
CID 57125799
(4-formyl-3-methoxyphenyl) acetate
CID 22633336
1-methoxy-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-propan-2-yloxybenzene
CID 101106893
(3-acetyl-4-acetyloxyphenyl) acetate
CID 12746015
(3,4-dimethylphenyl) (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 19207772
2-(4-acetyloxy-2-methylphenoxy)propanoic acid
CID 170549700
[4-(1-bromo-2-oxoethyl)-3-methoxyphenyl] acetate
CID 174448994
(2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 10569527
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-propan-2-yloxyphenyl) acetate?
The IUPAC name of (4-methoxy-3-propan-2-yloxyphenyl) acetate (CID 10656751) is (4-methoxy-3-propan-2-yloxyphenyl) acetate.
What is the SMILES notation for (4-methoxy-3-propan-2-yloxyphenyl) acetate?
The canonical SMILES for (4-methoxy-3-propan-2-yloxyphenyl) acetate is COc1ccc(OC(C)=O)cc1OC(C)C.
What is the InChIKey of (4-methoxy-3-propan-2-yloxyphenyl) acetate?
The InChIKey is ZHDCGRDGUKZXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8(2)15-12-7-10(16-9(3)13)5-6-11(12)14-4/h5-8H,1-4H3.
What are the key properties of (4-methoxy-3-propan-2-yloxyphenyl) acetate?
(4-methoxy-3-propan-2-yloxyphenyl) acetate has a molecular weight of 224.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-propan-2-yloxyphenyl) acetate is sourced from PubChem (CID 10656751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).