2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid

C15H18O3 — CID 173335444

IUPAC2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid
SMILESCCC12CC1CCc1c(OCC(=O)O)cccc12
InChIInChI=1S/C15H18O3/c1-2-15-8-10(15)6-7-11-12(15)4-3-5-13(11)18-9-14(16)17/h3-5,10H,2,6-9H2,1H3,(H,16,17)
InChIKeyALTOXRNTCLDGSB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.76
Rot. Bonds4

About 2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid

2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid (PubChem CID 173335444) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid
PubChem CID173335444
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid
SMILESCCC12CC1CCc1c(OCC(=O)O)cccc12
InChIInChI=1S/C15H18O3/c1-2-15-8-10(15)6-7-11-12(15)4-3-5-13(11)18-9-14(16)17/h3-5,10H,2,6-9H2,1H3,(H,16,17)
InChIKeyALTOXRNTCLDGSB-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid?
The IUPAC name of 2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid (CID 173335444) is 2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid?
The canonical SMILES for 2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid is CCC12CC1CCc1c(OCC(=O)O)cccc12.
What is the InChIKey of 2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid?
The InChIKey is ALTOXRNTCLDGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-15-8-10(15)6-7-11-12(15)4-3-5-13(11)18-9-14(16)17/h3-5,10H,2,6-9H2,1H3,(H,16,17).
What are the key properties of 2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid?
2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid has a molecular weight of 246.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid is sourced from PubChem (CID 173335444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).