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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Related Compounds

3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117389818
3-(5-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117429787
(3S)-3-cyclopropyl-3-[3-[[1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-yl]methoxy]phenyl]propanoic acid
CID 118301893
3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
CID 117472178
3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid
CID 117383667
2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 84702232
3-(2-chloro-5-fluoro-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117434403
3-(3-chloro-2,4,5-trifluorophenyl)-3-cyclopropylpropanoic acid
CID 117107877
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117429783
3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
CID 117469302
3-amino-3-[2-(cyclobutylmethoxy)-5-fluorophenyl]propanoic acid
CID 117421508

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).