(3-phenyl-2-propan-2-ylphenyl) acetate

C17H18O2 — CID 69300193

IUPAC(3-phenyl-2-propan-2-ylphenyl) acetate
SMILESCC(=O)Oc1cccc(-c2ccccc2)c1C(C)C
InChIInChI=1S/C17H18O2/c1-12(2)17-15(14-8-5-4-6-9-14)10-7-11-16(17)19-13(3)18/h4-12H,1-3H3
InChIKeyONVDNHFRISPDJP-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.40
Rot. Bonds3

About (3-phenyl-2-propan-2-ylphenyl) acetate

(3-phenyl-2-propan-2-ylphenyl) acetate (PubChem CID 69300193) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (3-phenyl-2-propan-2-ylphenyl) acetate.

Molecular Properties

Compound Name(3-phenyl-2-propan-2-ylphenyl) acetate
PubChem CID69300193
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(3-phenyl-2-propan-2-ylphenyl) acetate
SMILESCC(=O)Oc1cccc(-c2ccccc2)c1C(C)C
InChIInChI=1S/C17H18O2/c1-12(2)17-15(14-8-5-4-6-9-14)10-7-11-16(17)19-13(3)18/h4-12H,1-3H3
InChIKeyONVDNHFRISPDJP-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-acetyloxy-2-propan-2-ylphenyl)phenyl] acetate
CID 68948751
1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene
CID 139700110
(2-chloro-3-phenylphenyl) acetate
CID 54501671
1-(3-phenyl-2-propan-2-ylphenyl)ethanone
CID 139652419
(2,4-diphenylphenyl) acetate
CID 57057849
[2-(4-aminophenyl)phenyl] acetate
CID 68788383
[2,3-di(propan-2-yloxy)phenyl] acetate
CID 19833391
(4-hydroxy-2-methyl-5-phenylphenyl) acetate
CID 10728858
2,6-diacetyloxybenzoic acid
CID 10007406
[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate
CID 101088092
(3-acetyloxy-2-chloro-4-phenylphenyl) acetate
CID 139930381
9H-fluoren-1-yl acetate;propane-1,2-diol
CID 159192832

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-2-propan-2-ylphenyl) acetate?
The IUPAC name of (3-phenyl-2-propan-2-ylphenyl) acetate (CID 69300193) is (3-phenyl-2-propan-2-ylphenyl) acetate.
What is the SMILES notation for (3-phenyl-2-propan-2-ylphenyl) acetate?
The canonical SMILES for (3-phenyl-2-propan-2-ylphenyl) acetate is CC(=O)Oc1cccc(-c2ccccc2)c1C(C)C.
What is the InChIKey of (3-phenyl-2-propan-2-ylphenyl) acetate?
The InChIKey is ONVDNHFRISPDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12(2)17-15(14-8-5-4-6-9-14)10-7-11-16(17)19-13(3)18/h4-12H,1-3H3.
What are the key properties of (3-phenyl-2-propan-2-ylphenyl) acetate?
(3-phenyl-2-propan-2-ylphenyl) acetate has a molecular weight of 254.33 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-2-propan-2-ylphenyl) acetate is sourced from PubChem (CID 69300193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).