2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid

C15H21ClO4 — CID 103410965

IUPAC2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid
SMILESCOCCOCCCC(Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C15H21ClO4/c1-19-9-10-20-8-4-6-13(15(17)18)11-12-5-2-3-7-14(12)16/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,18)
InChIKeyWOUOSZOTLXXKAI-UHFFFAOYSA-N
MW300.78 g/mol
LogP3.03
Rot. Bonds10

About 2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid

2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid (PubChem CID 103410965) has the molecular formula C15H21ClO4 and a molecular weight of 300.78 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid
PubChem CID103410965
Molecular FormulaC15H21ClO4
Molecular Weight300.78 g/mol
Exact Mass300.11
IUPAC Name2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid
SMILESCOCCOCCCC(Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C15H21ClO4/c1-19-9-10-20-8-4-6-13(15(17)18)11-12-5-2-3-7-14(12)16/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,18)
InChIKeyWOUOSZOTLXXKAI-UHFFFAOYSA-N
XLogP3.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.78
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chlorophenyl)methyl]-4-propoxybutanoic acid
CID 106454854
2-[(2-chlorophenyl)methyl]-4-ethoxybutanoic acid
CID 60794360
2-[(2-chlorophenyl)methyl]octanoic acid
CID 60793381
2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid
CID 63402472
2-[(2-chlorophenyl)methyl]-4-pyridin-2-ylbutanoic acid
CID 79418089
2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid
CID 79418256
2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
CID 103416670
1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene
CID 142784737
(2R,4S)-2-amino-4-[(2-chlorophenyl)methyl]pentanedioic acid
CID 10880215
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
2-[(4-bromophenyl)methyl]-4-(3-methoxypropoxy)butanoic acid
CID 103181430
3-[(2-chlorophenyl)methyl]-4-oxopentanoic acid
CID 11207203

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid (CID 103410965) is 2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid is COCCOCCCC(Cc1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid?
The InChIKey is WOUOSZOTLXXKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO4/c1-19-9-10-20-8-4-6-13(15(17)18)11-12-5-2-3-7-14(12)16/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,18).
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid?
2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid has a molecular weight of 300.78 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid is sourced from PubChem (CID 103410965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).