1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one

C17H18O5 — CID 86575310

IUPAC1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)C(C)c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C17H18O5/c1-10(11-4-6-13(18)15(8-11)21-2)17(20)12-5-7-14(19)16(9-12)22-3/h4-10,18-19H,1-3H3
InChIKeyYPDJVOZWLIGFKY-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.10
Rot. Bonds5

About 1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one

1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one (PubChem CID 86575310) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one
PubChem CID86575310
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)C(C)c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C17H18O5/c1-10(11-4-6-13(18)15(8-11)21-2)17(20)12-5-7-14(19)16(9-12)22-3/h4-10,18-19H,1-3H3
InChIKeyYPDJVOZWLIGFKY-UHFFFAOYSA-N
XLogP3.10
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(4-hydroxy-3-methoxyphenyl)butan-1-one
CID 162941342
(2S)-2-chloro-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 95423197
(2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 163102563
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22339410
[(3R,4R)-4-(4-hydroxy-3-methoxybenzoyl)oxolan-3-yl]-(4-propan-2-ylphenyl)methanone
CID 71608170
4-amino-2-(4-hydroxy-3-methoxybenzoyl)butanoic acid
CID 166453767

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one?
The IUPAC name of 1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one (CID 86575310) is 1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one?
The canonical SMILES for 1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one is COc1cc(C(=O)C(C)c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of 1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one?
The InChIKey is YPDJVOZWLIGFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-10(11-4-6-13(18)15(8-11)21-2)17(20)12-5-7-14(19)16(9-12)22-3/h4-10,18-19H,1-3H3.
What are the key properties of 1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one?
1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one has a molecular weight of 302.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 86575310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).