trans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid

C18H16O2 — CID 68905738

IUPACtrans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1/C=C/c1ccccc1-c1ccccc1
InChIInChI=1S/C18H16O2/c19-18(20)17-12-15(17)11-10-14-8-4-5-9-16(14)13-6-2-1-3-7-13/h1-11,15,17H,12H2,(H,19,20)/b11-10+/t15-,17+/m1/s1
InChIKeyQVFOLHRDLPCQBP-ADEBZEFOSA-N
MW264.32 g/mol
LogP4.09
Rot. Bonds4

About trans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid (PubChem CID 68905738) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid
PubChem CID68905738
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Nametrans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1/C=C/c1ccccc1-c1ccccc1
InChIInChI=1S/C18H16O2/c19-18(20)17-12-15(17)11-10-14-8-4-5-9-16(14)13-6-2-1-3-7-13/h1-11,15,17H,12H2,(H,19,20)/b11-10+/t15-,17+/m1/s1
InChIKeyQVFOLHRDLPCQBP-ADEBZEFOSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid (CID 68905738) is trans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1/C=C/c1ccccc1-c1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid?
The InChIKey is QVFOLHRDLPCQBP-ADEBZEFOSA-N. The full InChI is InChI=1S/C18H16O2/c19-18(20)17-12-15(17)11-10-14-8-4-5-9-16(14)13-6-2-1-3-7-13/h1-11,15,17H,12H2,(H,19,20)/b11-10+/t15-,17+/m1/s1.
What are the key properties of trans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(E)-2-(2-phenylphenyl)ethenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 68905738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).