3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid

C16H19ClO3 — CID 117475416

IUPAC3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(c1cc(Cl)ccc1OCC1CC1)C1CC1
InChIInChI=1S/C16H19ClO3/c17-12-5-6-15(20-9-10-1-2-10)14(7-12)13(8-16(18)19)11-3-4-11/h5-7,10-11,13H,1-4,8-9H2,(H,18,19)
InChIKeyLBSQGAMEMQNGFO-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.10
Rot. Bonds7

About 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid

3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid (PubChem CID 117475416) has the molecular formula C16H19ClO3 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid
PubChem CID117475416
Molecular FormulaC16H19ClO3
Molecular Weight294.78 g/mol
Exact Mass294.10
IUPAC Name3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(c1cc(Cl)ccc1OCC1CC1)C1CC1
InChIInChI=1S/C16H19ClO3/c17-12-5-6-15(20-9-10-1-2-10)14(7-12)13(8-16(18)19)11-3-4-11/h5-7,10-11,13H,1-4,8-9H2,(H,18,19)
InChIKeyLBSQGAMEMQNGFO-UHFFFAOYSA-N
XLogP4.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid?
The IUPAC name of 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid (CID 117475416) is 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid is O=C(O)CC(c1cc(Cl)ccc1OCC1CC1)C1CC1.
What is the InChIKey of 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid?
The InChIKey is LBSQGAMEMQNGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO3/c17-12-5-6-15(20-9-10-1-2-10)14(7-12)13(8-16(18)19)11-3-4-11/h5-7,10-11,13H,1-4,8-9H2,(H,18,19).
What are the key properties of 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid?
3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid has a molecular weight of 294.78 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 117475416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).