propan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate

C20H24O5 — CID 53383617

IUPACpropan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate
SMILESCOc1ccc(C(O)C(O)(C(=O)OC(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24O5/c1-13(2)25-19(22)20(23,16-9-5-14(3)6-10-16)18(21)15-7-11-17(24-4)12-8-15/h5-13,18,21,23H,1-4H3
InChIKeyOWGCXCFTKLMQKK-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.88
Rot. Bonds6

About propan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate

propan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate (PubChem CID 53383617) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is propan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate
PubChem CID53383617
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Namepropan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate
SMILESCOc1ccc(C(O)C(O)(C(=O)OC(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24O5/c1-13(2)25-19(22)20(23,16-9-5-14(3)6-10-16)18(21)15-7-11-17(24-4)12-8-15/h5-13,18,21,23H,1-4H3
InChIKeyOWGCXCFTKLMQKK-UHFFFAOYSA-N
XLogP2.88
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[1,2-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]benzoate
CID 177460702
propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
CID 129353793
propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate
CID 142223299
1-(4-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347393
ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate
CID 134955968
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene
CID 170262798
2-methoxy-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 12658876
methyl 3,3,3-trifluoro-2-hydroxy-2-[hydroxy-(4-methylphenyl)methyl]propanoate
CID 11521967
benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
CID 3480592
methyl 3-(4-cyanophenyl)-2,3-dihydroxy-2-phenylpropanoate
CID 141252703
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate?
The IUPAC name of propan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate (CID 53383617) is propan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate.
What is the SMILES notation for propan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate?
The canonical SMILES for propan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate is COc1ccc(C(O)C(O)(C(=O)OC(C)C)c2ccc(C)cc2)cc1.
What is the InChIKey of propan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate?
The InChIKey is OWGCXCFTKLMQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-13(2)25-19(22)20(23,16-9-5-14(3)6-10-16)18(21)15-7-11-17(24-4)12-8-15/h5-13,18,21,23H,1-4H3.
What are the key properties of propan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate?
propan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate has a molecular weight of 344.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,3-dihydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)propanoate is sourced from PubChem (CID 53383617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).