2-(2-chloro-4-phenylmethoxyphenyl)acetic acid

C15H13ClO3 — CID 4241746

IUPAC2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C15H13ClO3/c16-14-9-13(7-6-12(14)8-15(17)18)19-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,17,18)
InChIKeyQTKDLMNZUOVNGO-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.55
Rot. Bonds5

About 2-(2-chloro-4-phenylmethoxyphenyl)acetic acid

2-(2-chloro-4-phenylmethoxyphenyl)acetic acid (PubChem CID 4241746) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylmethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
PubChem CID4241746
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C15H13ClO3/c16-14-9-13(7-6-12(14)8-15(17)18)19-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,17,18)
InChIKeyQTKDLMNZUOVNGO-UHFFFAOYSA-N
XLogP3.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516199
(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid
CID 90281986
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
2-[3-chloro-4-(4-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516053
methyl (2S)-3-(2-chloro-4-phenylmethoxyphenyl)-2-ethoxypropanoate
CID 68616300
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea
CID 3526755
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylmethoxyphenyl)acetic acid?
The IUPAC name of 2-(2-chloro-4-phenylmethoxyphenyl)acetic acid (CID 4241746) is 2-(2-chloro-4-phenylmethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-chloro-4-phenylmethoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-chloro-4-phenylmethoxyphenyl)acetic acid is O=C(O)Cc1ccc(OCc2ccccc2)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-phenylmethoxyphenyl)acetic acid?
The InChIKey is QTKDLMNZUOVNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c16-14-9-13(7-6-12(14)8-15(17)18)19-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,17,18).
What are the key properties of 2-(2-chloro-4-phenylmethoxyphenyl)acetic acid?
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid has a molecular weight of 276.72 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylmethoxyphenyl)acetic acid is sourced from PubChem (CID 4241746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).