cis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid

C17H14O4 — CID 946046

IUPACcis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1[C@H](C(=O)O)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O4/c18-15(19)13-14(16(20)21)17(13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,(H,18,19)(H,20,21)/t13-,14+
InChIKeyZRZIECPVJOBCAO-OKILXGFUSA-N
MW282.30 g/mol
LogP2.39
Rot. Bonds4

About cis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid

cis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid (PubChem CID 946046) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is cis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid
PubChem CID946046
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Namecis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1[C@H](C(=O)O)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O4/c18-15(19)13-14(16(20)21)17(13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,(H,18,19)(H,20,21)/t13-,14+
InChIKeyZRZIECPVJOBCAO-OKILXGFUSA-N
XLogP2.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid?
The IUPAC name of cis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid (CID 946046) is cis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for cis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for cis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid is O=C(O)[C@@H]1[C@H](C(=O)O)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid?
The InChIKey is ZRZIECPVJOBCAO-OKILXGFUSA-N. The full InChI is InChI=1S/C17H14O4/c18-15(19)13-14(16(20)21)17(13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,(H,18,19)(H,20,21)/t13-,14+.
What are the key properties of cis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid?
cis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 946046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).