3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid

C17H18O5 — CID 18473837

IUPAC3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid
SMILESCOCOc1ccc(C(O)(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H18O5/c1-21-12-22-15-9-7-14(8-10-15)17(20,11-16(18)19)13-5-3-2-4-6-13/h2-10,20H,11-12H2,1H3,(H,18,19)
InChIKeyULZVDXJIHCXKHV-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.38
Rot. Bonds7

About 3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid

3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid (PubChem CID 18473837) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid
PubChem CID18473837
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid
SMILESCOCOc1ccc(C(O)(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H18O5/c1-21-12-22-15-9-7-14(8-10-15)17(20,11-16(18)19)13-5-3-2-4-6-13/h2-10,20H,11-12H2,1H3,(H,18,19)
InChIKeyULZVDXJIHCXKHV-UHFFFAOYSA-N
XLogP2.38
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
CID 54405970
methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate
CID 172804788
1,4-bis(methoxymethoxy)benzene
CID 542643
1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene
CID 57168738
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789
1-(methoxymethoxy)-4-(trifluoromethyl)benzene
CID 11009076
3-hydroxy-3-(4-methylsulfanylphenyl)-3-(4-phenylphenyl)propanoic acid
CID 2754443
[4-[2-[4-[4-(methoxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(methoxymethoxy)benzoate
CID 58090351
[4-(1,2-dihydroxy-1-phenylethyl)phenyl] acetate
CID 67748642
3,3,5-trimethyl-5-phenylhexanoic acid
CID 167163397
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid
CID 146628259

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid?
The IUPAC name of 3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid (CID 18473837) is 3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid.
What is the SMILES notation for 3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid?
The canonical SMILES for 3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid is COCOc1ccc(C(O)(CC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid?
The InChIKey is ULZVDXJIHCXKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-21-12-22-15-9-7-14(8-10-15)17(20,11-16(18)19)13-5-3-2-4-6-13/h2-10,20H,11-12H2,1H3,(H,18,19).
What are the key properties of 3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid?
3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid is sourced from PubChem (CID 18473837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).