1,3-diphenylpropan-2-yl formate

C16H16O2 — CID 122547977

IUPAC1,3-diphenylpropan-2-yl formate
SMILESO=COC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16O2/c17-13-18-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2
InChIKeyCMDBAOZKFPRICM-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.01
Rot. Bonds6

About 1,3-diphenylpropan-2-yl formate

1,3-diphenylpropan-2-yl formate (PubChem CID 122547977) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1,3-diphenylpropan-2-yl formate.

Molecular Properties

Compound Name1,3-diphenylpropan-2-yl formate
PubChem CID122547977
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1,3-diphenylpropan-2-yl formate
SMILESO=COC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16O2/c17-13-18-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2
InChIKeyCMDBAOZKFPRICM-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenylpentan-3-yl formate
CID 58248129
[1-(4-oxopiperidin-3-yl)-3-phenylpropan-2-yl] formate;hydrochloride
CID 174589840
[(1R)-1-phenylethyl] formate
CID 76963066
[1-(4-aminophenyl)-3-(1H-indol-2-yl)propan-2-yl] formate
CID 174506903
1,3-diphenylpropan-2-yloxybenzene
CID 54221058
(2R)-2-iodo-3-phenylpropanal
CID 53487128
[3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene
CID 141203341
1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride
CID 70071894
[(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene
CID 98043941
formic acid;2-methylpropylbenzene
CID 162001374
2-bromo-3-phenylpropanal;ethane
CID 90858202
4-benzyl-5-phenylpentanal
CID 151491090

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropan-2-yl formate?
The IUPAC name of 1,3-diphenylpropan-2-yl formate (CID 122547977) is 1,3-diphenylpropan-2-yl formate.
What is the SMILES notation for 1,3-diphenylpropan-2-yl formate?
The canonical SMILES for 1,3-diphenylpropan-2-yl formate is O=COC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,3-diphenylpropan-2-yl formate?
The InChIKey is CMDBAOZKFPRICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c17-13-18-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2.
What are the key properties of 1,3-diphenylpropan-2-yl formate?
1,3-diphenylpropan-2-yl formate has a molecular weight of 240.30 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropan-2-yl formate is sourced from PubChem (CID 122547977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).