butyl 2-(3-phenoxyphenyl)acetate

C18H20O3 — CID 22123808

IUPACbutyl 2-(3-phenoxyphenyl)acetate
SMILESCCCCOC(=O)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H20O3/c1-2-3-12-20-18(19)14-15-8-7-11-17(13-15)21-16-9-5-4-6-10-16/h4-11,13H,2-3,12,14H2,1H3
InChIKeyMGXBCFUJXVJSEU-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.36
Rot. Bonds7

About butyl 2-(3-phenoxyphenyl)acetate

butyl 2-(3-phenoxyphenyl)acetate (PubChem CID 22123808) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is butyl 2-(3-phenoxyphenyl)acetate.

Molecular Properties

Compound Namebutyl 2-(3-phenoxyphenyl)acetate
PubChem CID22123808
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namebutyl 2-(3-phenoxyphenyl)acetate
SMILESCCCCOC(=O)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H20O3/c1-2-3-12-20-18(19)14-15-8-7-11-17(13-15)21-16-9-5-4-6-10-16/h4-11,13H,2-3,12,14H2,1H3
InChIKeyMGXBCFUJXVJSEU-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 22459062
1-(3-butoxyphenyl)butan-2-one
CID 82161239
octyl 2-phenylacetate;oxophosphanium
CID 160645862
ethyl (E)-3-hydroxy-2-[(3-phenoxyphenyl)methyl]prop-2-enoate
CID 10732814
2-(3-octoxyphenyl)acetic acid
CID 11975056
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
(2-methylphenyl) 2-(3-phenoxyphenyl)acetate
CID 91335727
1-O-nonyl 10-O-[(4-phenoxyphenyl)methyl] decanedioate
CID 91732980
diethyl 2-[(3-phenoxyphenyl)methyl]propanedioate
CID 10569299
methyl 2-[3-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butoxy]phenyl]acetate
CID 22458910
CID 174876749
CID 174876749
ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate
CID 54494277

Frequently Asked Questions

What is the IUPAC name of butyl 2-(3-phenoxyphenyl)acetate?
The IUPAC name of butyl 2-(3-phenoxyphenyl)acetate (CID 22123808) is butyl 2-(3-phenoxyphenyl)acetate.
What is the SMILES notation for butyl 2-(3-phenoxyphenyl)acetate?
The canonical SMILES for butyl 2-(3-phenoxyphenyl)acetate is CCCCOC(=O)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of butyl 2-(3-phenoxyphenyl)acetate?
The InChIKey is MGXBCFUJXVJSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-3-12-20-18(19)14-15-8-7-11-17(13-15)21-16-9-5-4-6-10-16/h4-11,13H,2-3,12,14H2,1H3.
What are the key properties of butyl 2-(3-phenoxyphenyl)acetate?
butyl 2-(3-phenoxyphenyl)acetate has a molecular weight of 284.36 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3-phenoxyphenyl)acetate is sourced from PubChem (CID 22123808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).