1-(2-phenylphenyl)propan-2-yl formate

C16H16O2 — CID 22558445

IUPAC1-(2-phenylphenyl)propan-2-yl formate
SMILESCC(Cc1ccccc1-c1ccccc1)OC=O
InChIInChI=1S/C16H16O2/c1-13(18-12-17)11-15-9-5-6-10-16(15)14-7-3-2-4-8-14/h2-10,12-13H,11H2,1H3
InChIKeyNZKZDRQGXBYNBJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.46
Rot. Bonds5

About 1-(2-phenylphenyl)propan-2-yl formate

1-(2-phenylphenyl)propan-2-yl formate (PubChem CID 22558445) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2-phenylphenyl)propan-2-yl formate.

Molecular Properties

Compound Name1-(2-phenylphenyl)propan-2-yl formate
PubChem CID22558445
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-(2-phenylphenyl)propan-2-yl formate
SMILESCC(Cc1ccccc1-c1ccccc1)OC=O
InChIInChI=1S/C16H16O2/c1-13(18-12-17)11-15-9-5-6-10-16(15)14-7-3-2-4-8-14/h2-10,12-13H,11H2,1H3
InChIKeyNZKZDRQGXBYNBJ-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.46
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

carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
1-(2,2-dimethoxyethyl)-2-phenylbenzene
CID 174663950
2-hydroxy-3-(2-phenylphenyl)propanoic acid
CID 150667818
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
3-(2-phenylphenyl)propane-1,2-diol
CID 154118569
2-[2-(4-phenylphenyl)phenyl]acetaldehyde
CID 87253874
ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene
CID 159880007
1-phenyl-2-[(2-phenylphenyl)methyl]benzene
CID 54434316
3-hydroxy-4-(2-phenylphenyl)butanoic acid
CID 53424527
2-[(2R)-1-(2-phenylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole
CID 122179422
(E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid
CID 70116548
1-[3-(2-phenylphenyl)prop-1-enoxy]ethyl dihydrogen phosphate
CID 175182554

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylphenyl)propan-2-yl formate?
The IUPAC name of 1-(2-phenylphenyl)propan-2-yl formate (CID 22558445) is 1-(2-phenylphenyl)propan-2-yl formate.
What is the SMILES notation for 1-(2-phenylphenyl)propan-2-yl formate?
The canonical SMILES for 1-(2-phenylphenyl)propan-2-yl formate is CC(Cc1ccccc1-c1ccccc1)OC=O.
What is the InChIKey of 1-(2-phenylphenyl)propan-2-yl formate?
The InChIKey is NZKZDRQGXBYNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-13(18-12-17)11-15-9-5-6-10-16(15)14-7-3-2-4-8-14/h2-10,12-13H,11H2,1H3.
What are the key properties of 1-(2-phenylphenyl)propan-2-yl formate?
1-(2-phenylphenyl)propan-2-yl formate has a molecular weight of 240.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylphenyl)propan-2-yl formate is sourced from PubChem (CID 22558445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).