2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid

C14H17ClO4 — CID 117458340

IUPAC2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid
SMILESCOc1c(Cl)cc(C(C)C(=O)O)cc1OCC1CC1
InChIInChI=1S/C14H17ClO4/c1-8(14(16)17)10-5-11(15)13(18-2)12(6-10)19-7-9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyYKAFDCUZTFLLOR-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.33
Rot. Bonds6

About 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid

2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid (PubChem CID 117458340) has the molecular formula C14H17ClO4 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid
PubChem CID117458340
Molecular FormulaC14H17ClO4
Molecular Weight284.74 g/mol
Exact Mass284.08
IUPAC Name2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid
SMILESCOc1c(Cl)cc(C(C)C(=O)O)cc1OCC1CC1
InChIInChI=1S/C14H17ClO4/c1-8(14(16)17)10-5-11(15)13(18-2)12(6-10)19-7-9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyYKAFDCUZTFLLOR-UHFFFAOYSA-N
XLogP3.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-2,2-dimethylpropanoic acid
CID 117497807
2-[3-chloro-4-(cyclopropylmethoxy)phenyl]propanoic acid;(2S)-2,6-diaminohexanoic acid
CID 3047194
2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117390072
2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 117428032
2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117340664
2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117484437
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopentan-1-amine
CID 117476556
2-[3-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)phenyl]-4-methylpentanoic acid
CID 66940615
1-chloro-3-(cyclopropylmethoxy)-5-(1-isocyanatocyclopropyl)-2-methoxybenzene
CID 117473987
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine
CID 117494486
2-(3,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117321873
2-[3-bromo-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117498299

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid?
The IUPAC name of 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid (CID 117458340) is 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid.
What is the SMILES notation for 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid?
The canonical SMILES for 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid is COc1c(Cl)cc(C(C)C(=O)O)cc1OCC1CC1.
What is the InChIKey of 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid?
The InChIKey is YKAFDCUZTFLLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO4/c1-8(14(16)17)10-5-11(15)13(18-2)12(6-10)19-7-9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid?
2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid has a molecular weight of 284.74 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid is sourced from PubChem (CID 117458340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).