trans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid

C17H16O3 — CID 101035885

IUPACtrans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1/C=C\COc1ccc2ccccc2c1
InChIInChI=1S/C17H16O3/c18-17(19)16-11-14(16)6-3-9-20-15-8-7-12-4-1-2-5-13(12)10-15/h1-8,10,14,16H,9,11H2,(H,18,19)/b6-3-/t14-,16+/m0/s1
InChIKeyOGDFOXWCRVECSC-LLMLYATDSA-N
MW268.31 g/mol
LogP3.50
Rot. Bonds5

About trans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid (PubChem CID 101035885) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid
PubChem CID101035885
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Nametrans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1/C=C\COc1ccc2ccccc2c1
InChIInChI=1S/C17H16O3/c18-17(19)16-11-14(16)6-3-9-20-15-8-7-12-4-1-2-5-13(12)10-15/h1-8,10,14,16H,9,11H2,(H,18,19)/b6-3-/t14-,16+/m0/s1
InChIKeyOGDFOXWCRVECSC-LLMLYATDSA-N
XLogP3.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid (CID 101035885) is trans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@@H]1/C=C\COc1ccc2ccccc2c1.
What is the InChIKey of trans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid?
The InChIKey is OGDFOXWCRVECSC-LLMLYATDSA-N. The full InChI is InChI=1S/C17H16O3/c18-17(19)16-11-14(16)6-3-9-20-15-8-7-12-4-1-2-5-13(12)10-15/h1-8,10,14,16H,9,11H2,(H,18,19)/b6-3-/t14-,16+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 101035885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).