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4-Hydroxy-4-(4-hydroxyphenyl)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]chroman

HCID 22033332
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COCOc1ccc(C2COc3cc(OCOC)ccc3C2(O)c2ccc(O)cc2)cc1
InChIKey
GCDPBRIZTDRXJA-UHFFFAOYSA-N
Molecular formula
C25H26O7
Average molar mass
438.5 g/mol
Monoisotopic mass
438.16785316

Names & identifiers

Preferred name
4-Hydroxy-4-(4-hydroxyphenyl)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]chroman
IUPAC
4-(4-hydroxyphenyl)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-ol

Names & synonyms

SCHEMBL5856395GCDPBRIZTDRXJA-UHFFFAOYSA-N4-Hydroxy-4-(4-hydroxyphenyl)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]chroman4-(4-hydroxyphenyl)-4-hydroxy-7-methoxymethyloxy-3-[4-(methoxymethyloxy)phenyl]-2,3-dihydro-4H-benzopyran

Database identifiers

PubChem CID
22033332

Properties

Computed structural propertiesFilling in

XLogP
3.5
Topological polar surface area
86.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
32
Formal charge
0
Complexity
558

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Related reactions

6 records
New reaction record
HRID 1132693 reaction equation
HRID 1132693As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1792297 reaction equation
HRID 1792297As reactantuspto-grants-2006_07
HRID 1859301 reaction equation
HRID 1859301As productuspto-grants-2000_11
HRID 1859302 reaction equation
HRID 1859302As reactantuspto-grants-2000_11
HRID 1859333 reaction equation
HRID 1859333As reactantuspto-grants-2000_11
HRID 2123539 reaction equation
HRID 2123539As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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