1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one

C17H18O5 — CID 21436888

IUPAC1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one
SMILESCOCOc1ccc(C(=O)CCc2ccc(O)cc2)c(O)c1
InChIInChI=1S/C17H18O5/c1-21-11-22-14-7-8-15(17(20)10-14)16(19)9-4-12-2-5-13(18)6-3-12/h2-3,5-8,10,18,20H,4,9,11H2,1H3
InChIKeyUGDUQMUBDGSZNI-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.90
Rot. Bonds7

About 1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one

1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one (PubChem CID 21436888) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one
PubChem CID21436888
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one
SMILESCOCOc1ccc(C(=O)CCc2ccc(O)cc2)c(O)c1
InChIInChI=1S/C17H18O5/c1-21-11-22-14-7-8-15(17(20)10-14)16(19)9-4-12-2-5-13(18)6-3-12/h2-3,5-8,10,18,20H,4,9,11H2,1H3
InChIKeyUGDUQMUBDGSZNI-UHFFFAOYSA-N
XLogP2.90
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
CID 157364076
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91871425
3-[4-[3-(4-ethoxy-3-hydroxyphenyl)propanoyl]-3-hydroxyphenoxy]propane-1-sulfonic acid
CID 57237268
ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one
CID 163381454
1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one
CID 42607666
disodium;4-(methoxymethoxy)phthalate
CID 131725674
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate
CID 139988184
1-(4-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974372
2-[4-(methoxymethoxy)phenyl]ethanol
CID 16638841

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of 1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one (CID 21436888) is 1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for 1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one is COCOc1ccc(C(=O)CCc2ccc(O)cc2)c(O)c1.
What is the InChIKey of 1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one?
The InChIKey is UGDUQMUBDGSZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-21-11-22-14-7-8-15(17(20)10-14)16(19)9-4-12-2-5-13(18)6-3-12/h2-3,5-8,10,18,20H,4,9,11H2,1H3.
What are the key properties of 1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one?
1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one has a molecular weight of 302.33 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 21436888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).