[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate

C18H20O3 — CID 91802880

IUPAC[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(-c2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C18H20O3/c1-13(2)12-20-17-8-4-6-15(10-17)16-7-5-9-18(11-16)21-14(3)19/h4-11,13H,12H2,1-3H3
InChIKeyLEUCMZDNEQCQRY-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.31
Rot. Bonds5

About [3-[3-(2-methylpropoxy)phenyl]phenyl] acetate

[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate (PubChem CID 91802880) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is [3-[3-(2-methylpropoxy)phenyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
PubChem CID91802880
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(-c2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C18H20O3/c1-13(2)12-20-17-8-4-6-15(10-17)16-7-5-9-18(11-16)21-14(3)19/h4-11,13H,12H2,1-3H3
InChIKeyLEUCMZDNEQCQRY-UHFFFAOYSA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.31
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

1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane
CID 177480590
(2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide
CID 97434347
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
ethane;4-[3-(2-methylpropoxy)phenyl]butan-2-one
CID 176935151
4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one
CID 82444294
(3-nitrophenyl) 4-(2-methylpropoxy)benzoate
CID 23011610
[3-(6-methoxynaphthalen-2-yl)phenyl] acetate
CID 57307184
[3-(3-acetyloxy-2-propan-2-ylphenyl)phenyl] acetate
CID 68948751

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methylpropoxy)phenyl]phenyl] acetate?
The IUPAC name of [3-[3-(2-methylpropoxy)phenyl]phenyl] acetate (CID 91802880) is [3-[3-(2-methylpropoxy)phenyl]phenyl] acetate.
What is the SMILES notation for [3-[3-(2-methylpropoxy)phenyl]phenyl] acetate?
The canonical SMILES for [3-[3-(2-methylpropoxy)phenyl]phenyl] acetate is CC(=O)Oc1cccc(-c2cccc(OCC(C)C)c2)c1.
What is the InChIKey of [3-[3-(2-methylpropoxy)phenyl]phenyl] acetate?
The InChIKey is LEUCMZDNEQCQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13(2)12-20-17-8-4-6-15(10-17)16-7-5-9-18(11-16)21-14(3)19/h4-11,13H,12H2,1-3H3.
What are the key properties of [3-[3-(2-methylpropoxy)phenyl]phenyl] acetate?
[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate has a molecular weight of 284.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methylpropoxy)phenyl]phenyl] acetate is sourced from PubChem (CID 91802880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).