(4-methoxyphenyl)methyl acetate

C10H12O3 — CID 7695

IUPAC(4-methoxyphenyl)methyl acetate
SMILESCOc1ccc(COC(C)=O)cc1
InChIInChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
InChIKeyHFNGYHHRRMSKEU-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.76
Rot. Bonds3

About (4-methoxyphenyl)methyl acetate

(4-methoxyphenyl)methyl acetate (PubChem CID 7695) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl acetate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl acetate
PubChem CID7695
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(4-methoxyphenyl)methyl acetate
SMILESCOc1ccc(COC(C)=O)cc1
InChIInChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
InChIKeyHFNGYHHRRMSKEU-UHFFFAOYSA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Anethole
CID 637563
Estragole
CID 8815
Octinoxate
CID 5355130
Yangonin
CID 5281575
4-Methylphenyl acetate
CID 8797
4-Methoxybenzyl alcohol
CID 7738
4-Methylanisole
CID 7731
Methylumbelliferone
CID 10748
4-Methoxycinnamic Acid
CID 699414
Methyl anisate
CID 8499
Anisylacetone
CID 61007
4-Methoxybenzyl formate
CID 61054

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl acetate?
The IUPAC name of (4-methoxyphenyl)methyl acetate (CID 7695) is (4-methoxyphenyl)methyl acetate.
What is the SMILES notation for (4-methoxyphenyl)methyl acetate?
The canonical SMILES for (4-methoxyphenyl)methyl acetate is COc1ccc(COC(C)=O)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl acetate?
The InChIKey is HFNGYHHRRMSKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3.
What are the key properties of (4-methoxyphenyl)methyl acetate?
(4-methoxyphenyl)methyl acetate has a molecular weight of 180.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl acetate is sourced from PubChem (CID 7695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).