2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate

C20H20O2 — CID 145368316

IUPAC2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate
SMILESO=C(OC1Cc2ccccc2C1)[C@@H]1CCC1c1ccccc1
InChIInChI=1S/C20H20O2/c21-20(19-11-10-18(19)14-6-2-1-3-7-14)22-17-12-15-8-4-5-9-16(15)13-17/h1-9,17-19H,10-13H2/t18?,19-/m1/s1
InChIKeyUQWXELBMHCGUBX-MUMRKEEXSA-N
MW292.38 g/mol
LogP3.89
Rot. Bonds3

About 2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate

2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate (PubChem CID 145368316) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate
PubChem CID145368316
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate
SMILESO=C(OC1Cc2ccccc2C1)[C@@H]1CCC1c1ccccc1
InChIInChI=1S/C20H20O2/c21-20(19-11-10-18(19)14-6-2-1-3-7-14)22-17-12-15-8-4-5-9-16(15)13-17/h1-9,17-19H,10-13H2/t18?,19-/m1/s1
InChIKeyUQWXELBMHCGUBX-MUMRKEEXSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
phenyl 2-phenylcyclobutane-1-carboxylate
CID 143786245
2-phenylcyclobutane-1-carboxamide
CID 132565333
methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 101261612
(2,3,4-trichlorophenyl) 2-phenylcyclobutane-1-carboxylate
CID 145368307
benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate
CID 145368266
1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 86890661
[(1R,5S)-8-propan-2-yl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate
CID 10481959
benzene;(4-fluorophenyl)methyl (2R)-2-phenylcyclobutane-1-carboxylate;formic acid
CID 145368277
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate
CID 101211176

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate (CID 145368316) is 2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate is O=C(OC1Cc2ccccc2C1)[C@@H]1CCC1c1ccccc1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate?
The InChIKey is UQWXELBMHCGUBX-MUMRKEEXSA-N. The full InChI is InChI=1S/C20H20O2/c21-20(19-11-10-18(19)14-6-2-1-3-7-14)22-17-12-15-8-4-5-9-16(15)13-17/h1-9,17-19H,10-13H2/t18?,19-/m1/s1.
What are the key properties of 2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate?
2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate is sourced from PubChem (CID 145368316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).