(1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid

C17H16O2 — CID 12869602

IUPAC(1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-16(15(18)19)12-17(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyALTJKGMGSJVUBN-MRXNPFEDSA-N
MW252.31 g/mol
LogP3.47
Rot. Bonds3

About (1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid

(1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid (PubChem CID 12869602) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid
PubChem CID12869602
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-16(15(18)19)12-17(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyALTJKGMGSJVUBN-MRXNPFEDSA-N
XLogP3.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid?
The IUPAC name of (1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid (CID 12869602) is (1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid?
The canonical SMILES for (1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid is C[C@]1(C(=O)O)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid?
The InChIKey is ALTJKGMGSJVUBN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16O2/c1-16(15(18)19)12-17(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid?
(1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-2,2-diphenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 12869602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).