cis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid

C18H18O2 — CID 127032711

IUPACcis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@]1(CCc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H18O2/c19-17(20)18(12-11-14-7-3-1-4-8-14)13-16(18)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)/t16-,18+/m1/s1
InChIKeyIXUKORVOROCJEO-AEFFLSMTSA-N
MW266.34 g/mol
LogP3.88
Rot. Bonds5

About cis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid (PubChem CID 127032711) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid
PubChem CID127032711
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Namecis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@]1(CCc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H18O2/c19-17(20)18(12-11-14-7-3-1-4-8-14)13-16(18)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)/t16-,18+/m1/s1
InChIKeyIXUKORVOROCJEO-AEFFLSMTSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid (CID 127032711) is cis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@]1(CCc2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid?
The InChIKey is IXUKORVOROCJEO-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H18O2/c19-17(20)18(12-11-14-7-3-1-4-8-14)13-16(18)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)/t16-,18+/m1/s1.
What are the key properties of cis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 127032711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).