methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate

C18H20O5 — CID 18443703

IUPACmethyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)C(OC)C(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O5/c1-21-17(18(20)22-2)16(19)14-8-10-15(11-9-14)23-12-13-6-4-3-5-7-13/h3-11,16-17,19H,12H2,1-2H3
InChIKeyUNEVVHBCIWUNKJ-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.49
Rot. Bonds7

About methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate

methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate (PubChem CID 18443703) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate
PubChem CID18443703
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Namemethyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)C(OC)C(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O5/c1-21-17(18(20)22-2)16(19)14-8-10-15(11-9-14)23-12-13-6-4-3-5-7-13/h3-11,16-17,19H,12H2,1-2H3
InChIKeyUNEVVHBCIWUNKJ-UHFFFAOYSA-N
XLogP2.49
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 135065937
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
methyl 3-hydroxy-4-methyl-2-[1-(4-phenylmethoxyphenyl)ethyl]pentanoate
CID 67666709
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427
methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 90753894
methyl (2R)-4-oxo-2-(4-phenylmethoxyphenyl)butanoate
CID 86314561
(3R)-3-hydroxy-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 96839766
methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988
benzyl N-[(2R)-1-hydroxy-3-methyl-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate
CID 11750488
methyl (3R)-3-amino-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171243427
methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate
CID 95654466
ethyl 4-hydroxy-3-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 69110170

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate?
The IUPAC name of methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate (CID 18443703) is methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate is COC(=O)C(OC)C(O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate?
The InChIKey is UNEVVHBCIWUNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-21-17(18(20)22-2)16(19)14-8-10-15(11-9-14)23-12-13-6-4-3-5-7-13/h3-11,16-17,19H,12H2,1-2H3.
What are the key properties of methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate?
methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate has a molecular weight of 316.35 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 18443703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).