4-[(4-chlorophenyl)methoxy]pentanoic acid

C12H15ClO3 — CID 65127017

IUPAC4-[(4-chlorophenyl)methoxy]pentanoic acid
SMILESCC(CCC(=O)O)OCc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO3/c1-9(2-7-12(14)15)16-8-10-3-5-11(13)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,14,15)
InChIKeyKYTACJVKWRYWSH-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.11
Rot. Bonds6

About 4-[(4-chlorophenyl)methoxy]pentanoic acid

4-[(4-chlorophenyl)methoxy]pentanoic acid (PubChem CID 65127017) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]pentanoic acid.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]pentanoic acid
PubChem CID65127017
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name4-[(4-chlorophenyl)methoxy]pentanoic acid
SMILESCC(CCC(=O)O)OCc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO3/c1-9(2-7-12(14)15)16-8-10-3-5-11(13)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,14,15)
InChIKeyKYTACJVKWRYWSH-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

3-[(4-chlorophenyl)methoxy]-2-methylbutanoic acid
CID 174667439
1-[(4-chlorophenyl)methoxy]ethanol
CID 134444684
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
4-(thiophen-2-ylmethoxy)pentanoic acid
CID 62215052
2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65125262
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
4-(4-chlorophenyl)sulfanylpentanoic acid
CID 62213263
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890887
5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
CID 82855203
1-chloro-4-(1-ethoxyethoxymethyl)benzene
CID 19994952
(2S)-2,6-diamino-6-[(4-chlorophenyl)methoxy]hexanoic acid
CID 139616232

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]pentanoic acid?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]pentanoic acid (CID 65127017) is 4-[(4-chlorophenyl)methoxy]pentanoic acid.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]pentanoic acid?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]pentanoic acid is CC(CCC(=O)O)OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]pentanoic acid?
The InChIKey is KYTACJVKWRYWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-9(2-7-12(14)15)16-8-10-3-5-11(13)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 4-[(4-chlorophenyl)methoxy]pentanoic acid?
4-[(4-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 4-[(4-chlorophenyl)methoxy]pentanoic acid is sourced from PubChem (CID 65127017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).