2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid

C23H18ClNO4 — CID 24769378

IUPAC2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(N2Cc3c(Cl)ccc(OCc4ccccc4)c3C2=O)cc1
InChIInChI=1S/C23H18ClNO4/c24-19-10-11-20(29-14-16-4-2-1-3-5-16)22-18(19)13-25(23(22)28)17-8-6-15(7-9-17)12-21(26)27/h1-11H,12-14H2,(H,26,27)
InChIKeyYUFHGFYXIWSIRD-UHFFFAOYSA-N
MW407.85 g/mol
LogP4.71
Rot. Bonds6

About 2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid

2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid (PubChem CID 24769378) has the molecular formula C23H18ClNO4 and a molecular weight of 407.85 g/mol. Its IUPAC name is 2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid
PubChem CID24769378
Molecular FormulaC23H18ClNO4
Molecular Weight407.85 g/mol
Exact Mass407.09
IUPAC Name2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(N2Cc3c(Cl)ccc(OCc4ccccc4)c3C2=O)cc1
InChIInChI=1S/C23H18ClNO4/c24-19-10-11-20(29-14-16-4-2-1-3-5-16)22-18(19)13-25(23(22)28)17-8-6-15(7-9-17)12-21(26)27/h1-11H,12-14H2,(H,26,27)
InChIKeyYUFHGFYXIWSIRD-UHFFFAOYSA-N
XLogP4.71
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-(4-chloro-3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetate
CID 59549942
2-[4-(4-chloro-1-hydroxy-7-phenylmethoxyisoindol-2-yl)phenyl]acetic acid
CID 90984909
2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 102362654
ethyl 2-[4-(4-chloro-1-hydroxy-3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetate
CID 59549944
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
2-[4-[(2-bromo-4-phenylphenoxy)methyl]phenyl]acetic acid
CID 22682634
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
2-[4-[9-methyl-3-oxo-4-(2,2,2-trifluoroethoxy)-1H-benzo[f]isoindol-2-yl]phenyl]acetic acid
CID 58012490
2-[4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid
CID 24957188
2-[4-(1-oxo-4-propoxy-3H-benzo[f]isoindol-2-yl)phenyl]acetic acid
CID 21079313
2-[4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]phenyl]acetic acid
CID 11441746
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid (CID 24769378) is 2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid is O=C(O)Cc1ccc(N2Cc3c(Cl)ccc(OCc4ccccc4)c3C2=O)cc1.
What is the InChIKey of 2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid?
The InChIKey is YUFHGFYXIWSIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO4/c24-19-10-11-20(29-14-16-4-2-1-3-5-16)22-18(19)13-25(23(22)28)17-8-6-15(7-9-17)12-21(26)27/h1-11H,12-14H2,(H,26,27).
What are the key properties of 2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid?
2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid has a molecular weight of 407.85 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloro-3-oxo-4-phenylmethoxy-1H-isoindol-2-yl)phenyl]acetic acid is sourced from PubChem (CID 24769378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).