(2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid

C19H22O3 — CID 125466588

IUPAC(2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid
SMILESCc1cccc(O[C@@H](C(=O)O)c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C19H22O3/c1-12(2)15-8-10-16(11-9-15)18(19(20)21)22-17-7-5-6-13(3)14(17)4/h5-12,18H,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeyCQXAIDNNSDDDNM-GOSISDBHSA-N
MW298.38 g/mol
LogP4.63
Rot. Bonds5

About (2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid

(2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid (PubChem CID 125466588) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid
PubChem CID125466588
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid
SMILESCc1cccc(O[C@@H](C(=O)O)c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C19H22O3/c1-12(2)15-8-10-16(11-9-15)18(19(20)21)22-17-7-5-6-13(3)14(17)4/h5-12,18H,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeyCQXAIDNNSDDDNM-GOSISDBHSA-N
XLogP4.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
CID 51663755
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 28984413
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
bis(2,3-dimethylphenyl) carbonate
CID 23435013
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43799802
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
2-(2-fluoro-3-methylphenoxy)propanoic acid
CID 107655000
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 42904169
(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide
CID 43006891

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid?
The IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid (CID 125466588) is (2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid?
The canonical SMILES for (2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid is Cc1cccc(O[C@@H](C(=O)O)c2ccc(C(C)C)cc2)c1C.
What is the InChIKey of (2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid?
The InChIKey is CQXAIDNNSDDDNM-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22O3/c1-12(2)15-8-10-16(11-9-15)18(19(20)21)22-17-7-5-6-13(3)14(17)4/h5-12,18H,1-4H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid?
(2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid has a molecular weight of 298.38 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid is sourced from PubChem (CID 125466588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).