2-[(3-chlorophenyl)methoxy]pentanoic acid

C12H15ClO3 — CID 83038083

IUPAC2-[(3-chlorophenyl)methoxy]pentanoic acid
SMILESCCCC(OCc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C12H15ClO3/c1-2-4-11(12(14)15)16-8-9-5-3-6-10(13)7-9/h3,5-7,11H,2,4,8H2,1H3,(H,14,15)
InChIKeyXUATUAPVLCMFJP-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.11
Rot. Bonds6

About 2-[(3-chlorophenyl)methoxy]pentanoic acid

2-[(3-chlorophenyl)methoxy]pentanoic acid (PubChem CID 83038083) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]pentanoic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]pentanoic acid
PubChem CID83038083
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name2-[(3-chlorophenyl)methoxy]pentanoic acid
SMILESCCCC(OCc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C12H15ClO3/c1-2-4-11(12(14)15)16-8-9-5-3-6-10(13)7-9/h3,5-7,11H,2,4,8H2,1H3,(H,14,15)
InChIKeyXUATUAPVLCMFJP-UHFFFAOYSA-N
XLogP3.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(3-chlorophenyl)-2-propoxypropanoic acid
CID 100534108
3-(3-chlorophenyl)-2-propoxypropanoic acid
CID 133240512
3-(3-chlorophenyl)-2-ethoxypropanoic acid
CID 84726077
2-[(4-bromophenyl)methoxy]pentanoic acid
CID 83037540
2-[(3-methoxyphenyl)methoxy]dodecanoic acid
CID 67004671
(2R)-2-phenylmethoxyoctadecanoic acid
CID 102498485
2-(1,3-benzodioxol-5-ylmethoxy)pentanoic acid
CID 83038249
2-phenylmethoxybutanoic acid
CID 11816388
5-(3-chlorophenyl)-2-ethoxycarbonylpentanoic acid
CID 54177439
3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid
CID 139894799
4-(3-chlorophenyl)-2-ethylbutanoic acid
CID 158851266
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]pentanoic acid?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]pentanoic acid (CID 83038083) is 2-[(3-chlorophenyl)methoxy]pentanoic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]pentanoic acid?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]pentanoic acid is CCCC(OCc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]pentanoic acid?
The InChIKey is XUATUAPVLCMFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-2-4-11(12(14)15)16-8-9-5-3-6-10(13)7-9/h3,5-7,11H,2,4,8H2,1H3,(H,14,15).
What are the key properties of 2-[(3-chlorophenyl)methoxy]pentanoic acid?
2-[(3-chlorophenyl)methoxy]pentanoic acid has a molecular weight of 242.70 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]pentanoic acid is sourced from PubChem (CID 83038083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).