2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid

C20H17ClN2O3 — CID 58333674

IUPAC2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1-c1cnc(CCc2ccccc2)nc1
InChIInChI=1S/C20H17ClN2O3/c21-16-7-8-18(26-13-20(24)25)17(10-16)15-11-22-19(23-12-15)9-6-14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9,13H2,(H,24,25)
InChIKeyANDXEBIATMVCMP-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.05
Rot. Bonds7

About 2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid

2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid (PubChem CID 58333674) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid
PubChem CID58333674
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1-c1cnc(CCc2ccccc2)nc1
InChIInChI=1S/C20H17ClN2O3/c21-16-7-8-18(26-13-20(24)25)17(10-16)15-11-22-19(23-12-15)9-6-14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9,13H2,(H,24,25)
InChIKeyANDXEBIATMVCMP-UHFFFAOYSA-N
XLogP4.05
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-[2-[1-benzyl-5-(4-chlorophenyl)pyrazol-3-yl]-4-methylphenoxy]acetic acid
CID 110077326
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7167774
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
2-[4-chloro-2-[3-(3-hydroxypropylsulfonyl)phenyl]phenoxy]acetic acid
CID 70673272
2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258
2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid
CID 11653576
2-[2-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]-4-chlorophenoxy]acetic acid
CID 8989647
2-(2-bromo-4-chlorophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4217698
2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid
CID 70673149
2-[2-(benzylamino)-2-oxoethoxy]-5-chlorobenzoic acid
CID 45417869

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid (CID 58333674) is 2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid is O=C(O)COc1ccc(Cl)cc1-c1cnc(CCc2ccccc2)nc1.
What is the InChIKey of 2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid?
The InChIKey is ANDXEBIATMVCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c21-16-7-8-18(26-13-20(24)25)17(10-16)15-11-22-19(23-12-15)9-6-14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9,13H2,(H,24,25).
What are the key properties of 2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid?
2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid has a molecular weight of 368.82 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid is sourced from PubChem (CID 58333674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).