(2,2-diphenylcyclopropyl)methyl formate

C17H16O2 — CID 10610821

IUPAC(2,2-diphenylcyclopropyl)methyl formate
SMILESO=COCC1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c18-13-19-12-16-11-17(16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2
InChIKeyMTTISKJZFUYOEM-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.17
Rot. Bonds5

About (2,2-diphenylcyclopropyl)methyl formate

(2,2-diphenylcyclopropyl)methyl formate (PubChem CID 10610821) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2,2-diphenylcyclopropyl)methyl formate.

Molecular Properties

Compound Name(2,2-diphenylcyclopropyl)methyl formate
PubChem CID10610821
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(2,2-diphenylcyclopropyl)methyl formate
SMILESO=COCC1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c18-13-19-12-16-11-17(16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2
InChIKeyMTTISKJZFUYOEM-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.17
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

CID 101085600
CID 101085600
2,3-dihydro-1H-inden-2-ylmethyl formate
CID 174952112
3-phenyl-3-propylcyclopentane-1-carbaldehyde
CID 154684194
1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine
CID 77095627
1-phenylcyclopropane-1-carbaldehyde
CID 11008055
5-ethyl-5-phenyl-1,3-dioxane-2-carbaldehyde
CID 174828336
3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
CID 145039199
2-[1-[(2,2-diphenylcyclopropyl)methyl]azetidin-3-yl]pyridine
CID 56905810
benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 174582130
(E)-3-[(1R)-2,2-diphenylcyclopropyl]prop-2-enoic acid
CID 14347540
benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate
CID 177499812
ethyl (E)-3-[(1R)-2,2-diphenylcyclopropyl]prop-2-enoate
CID 14347534

Frequently Asked Questions

What is the IUPAC name of (2,2-diphenylcyclopropyl)methyl formate?
The IUPAC name of (2,2-diphenylcyclopropyl)methyl formate (CID 10610821) is (2,2-diphenylcyclopropyl)methyl formate.
What is the SMILES notation for (2,2-diphenylcyclopropyl)methyl formate?
The canonical SMILES for (2,2-diphenylcyclopropyl)methyl formate is O=COCC1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,2-diphenylcyclopropyl)methyl formate?
The InChIKey is MTTISKJZFUYOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-13-19-12-16-11-17(16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2.
What are the key properties of (2,2-diphenylcyclopropyl)methyl formate?
(2,2-diphenylcyclopropyl)methyl formate has a molecular weight of 252.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diphenylcyclopropyl)methyl formate is sourced from PubChem (CID 10610821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).