(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid

C15H14O4 — CID 129384207

IUPAC(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
SMILESCO[C@H](C(=O)O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H14O4/c1-18-14(15(16)17)11-7-9-13(10-8-11)19-12-5-3-2-4-6-12/h2-10,14H,1H3,(H,16,17)/t14-/m0/s1
InChIKeyBSXHDLYPKUNULL-AWEZNQCLSA-N
MW258.27 g/mol
LogP3.25
Rot. Bonds5

About (2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid

(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid (PubChem CID 129384207) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
PubChem CID129384207
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
SMILESCO[C@H](C(=O)O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H14O4/c1-18-14(15(16)17)11-7-9-13(10-8-11)19-12-5-3-2-4-6-12/h2-10,14H,1H3,(H,16,17)/t14-/m0/s1
InChIKeyBSXHDLYPKUNULL-AWEZNQCLSA-N
XLogP3.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
2-(4-phenoxyphenyl)propanoic acid
CID 527817
2-(4-ethoxyphenyl)-2-methoxyacetic acid
CID 83224411
2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
CID 116769538
methyl (4-phenoxyphenyl) carbonate
CID 19704468
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776
2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid
CID 21261883
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
CID 167742574
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 97052451
2-(4-phenoxyphenoxy)propanedioic acid
CID 18516803

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid?
The IUPAC name of (2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid (CID 129384207) is (2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid.
What is the SMILES notation for (2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid?
The canonical SMILES for (2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid is CO[C@H](C(=O)O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid?
The InChIKey is BSXHDLYPKUNULL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-14(15(16)17)11-7-9-13(10-8-11)19-12-5-3-2-4-6-12/h2-10,14H,1H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid?
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid has a molecular weight of 258.27 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid is sourced from PubChem (CID 129384207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).