1-benzyl-2-phenylcyclopropane-1-carboxylic acid

C17H16O2 — CID 86176889

IUPAC1-benzyl-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2)CC1c1ccccc1
InChIInChI=1S/C17H16O2/c18-16(19)17(11-13-7-3-1-4-8-13)12-15(17)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19)
InChIKeyYKTUTABZBJUJGI-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.49
Rot. Bonds4

About 1-benzyl-2-phenylcyclopropane-1-carboxylic acid

1-benzyl-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 86176889) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-benzyl-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-2-phenylcyclopropane-1-carboxylic acid
PubChem CID86176889
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-benzyl-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2)CC1c1ccccc1
InChIInChI=1S/C17H16O2/c18-16(19)17(11-13-7-3-1-4-8-13)12-15(17)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19)
InChIKeyYKTUTABZBJUJGI-UHFFFAOYSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-benzyl-2-phenylcyclopropane-1-carboxylic acid (CID 86176889) is 1-benzyl-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-benzyl-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-benzyl-2-phenylcyclopropane-1-carboxylic acid is O=C(O)C1(Cc2ccccc2)CC1c1ccccc1.
What is the InChIKey of 1-benzyl-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is YKTUTABZBJUJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-16(19)17(11-13-7-3-1-4-8-13)12-15(17)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19).
What are the key properties of 1-benzyl-2-phenylcyclopropane-1-carboxylic acid?
1-benzyl-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 86176889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).