2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid

C10H11ClO5 — CID 97179048

IUPAC2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid
SMILESCOc1cc(CO)c(Cl)cc1OCC(=O)O
InChIInChI=1S/C10H11ClO5/c1-15-8-2-6(4-12)7(11)3-9(8)16-5-10(13)14/h2-3,12H,4-5H2,1H3,(H,13,14)
InChIKeyOCCOVXQZTSOGJF-UHFFFAOYSA-N
MW246.65 g/mol
LogP1.30
Rot. Bonds5

About 2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid

2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid (PubChem CID 97179048) has the molecular formula C10H11ClO5 and a molecular weight of 246.65 g/mol. Its IUPAC name is 2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid
PubChem CID97179048
Molecular FormulaC10H11ClO5
Molecular Weight246.65 g/mol
Exact Mass246.03
IUPAC Name2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid
SMILESCOc1cc(CO)c(Cl)cc1OCC(=O)O
InChIInChI=1S/C10H11ClO5/c1-15-8-2-6(4-12)7(11)3-9(8)16-5-10(13)14/h2-3,12H,4-5H2,1H3,(H,13,14)
InChIKeyOCCOVXQZTSOGJF-UHFFFAOYSA-N
XLogP1.30
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid
CID 19575264
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid
CID 101351133
2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid
CID 18543387
(4-amino-2-chloro-5-methoxyphenyl)methanol
CID 96834541
3-(2-chloro-5-methoxy-4-prop-2-ynoxyphenyl)propanoic acid
CID 23114944
N-tert-butyl-2-[4-[(tert-butylamino)methyl]-5-chloro-2-methoxyphenoxy]acetamide
CID 66529720
2-[5-chloro-2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 19615588
2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid
CID 90901057
4-[(2-chloro-4,5-dimethoxyphenyl)methylamino]-4-oxobutanoic acid
CID 54785552
(5-chloro-2-ethyl-4-methoxyphenyl)methanol
CID 84669748
[2-(hydroxymethyl)-4,5-dimethoxyphenyl] hydrogen carbonate
CID 122655177

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid (CID 97179048) is 2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid is COc1cc(CO)c(Cl)cc1OCC(=O)O.
What is the InChIKey of 2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid?
The InChIKey is OCCOVXQZTSOGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO5/c1-15-8-2-6(4-12)7(11)3-9(8)16-5-10(13)14/h2-3,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid?
2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid has a molecular weight of 246.65 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid is sourced from PubChem (CID 97179048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).