[2-(4-methoxyphenyl)acetyl] pentanoate

C14H18O4 — CID 91448797

IUPAC[2-(4-methoxyphenyl)acetyl] pentanoate
SMILESCCCCC(=O)OC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C14H18O4/c1-3-4-5-13(15)18-14(16)10-11-6-8-12(17-2)9-7-11/h6-9H,3-5,10H2,1-2H3
InChIKeyXABPTYPGHYJXKJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.50
Rot. Bonds6

About [2-(4-methoxyphenyl)acetyl] pentanoate

[2-(4-methoxyphenyl)acetyl] pentanoate (PubChem CID 91448797) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)acetyl] pentanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)acetyl] pentanoate
PubChem CID91448797
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name[2-(4-methoxyphenyl)acetyl] pentanoate
SMILESCCCCC(=O)OC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C14H18O4/c1-3-4-5-13(15)18-14(16)10-11-6-8-12(17-2)9-7-11/h6-9H,3-5,10H2,1-2H3
InChIKeyXABPTYPGHYJXKJ-UHFFFAOYSA-N
XLogP2.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

prop-1-en-2-yl 2-(4-methoxyphenyl)acetate
CID 89069215
1-O-ethyl 4-O-[3-[2-(4-methoxyphenyl)acetyl]oxy-3-oxopropyl] (Z)-but-2-enedioate
CID 87706842
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
decyl 2-[4-(4-methoxyphenyl)phenyl]acetate
CID 121329524
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3778528
1-(4-methoxyphenyl)hexane-1,2-dione
CID 122382011
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
1,4-dimethoxybenzene;octan-3-one
CID 174621330
dipentanoyl hexanedioate
CID 174373362
2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
CID 86085296
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)acetyl] pentanoate?
The IUPAC name of [2-(4-methoxyphenyl)acetyl] pentanoate (CID 91448797) is [2-(4-methoxyphenyl)acetyl] pentanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)acetyl] pentanoate?
The canonical SMILES for [2-(4-methoxyphenyl)acetyl] pentanoate is CCCCC(=O)OC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)acetyl] pentanoate?
The InChIKey is XABPTYPGHYJXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-4-5-13(15)18-14(16)10-11-6-8-12(17-2)9-7-11/h6-9H,3-5,10H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)acetyl] pentanoate?
[2-(4-methoxyphenyl)acetyl] pentanoate has a molecular weight of 250.29 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)acetyl] pentanoate is sourced from PubChem (CID 91448797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).