1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone

C15H22O5 — CID 15345468

IUPAC1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone
SMILESCOc1c(OC(C)C)cc(O)c(C(C)=O)c1OC(C)C
InChIInChI=1S/C15H22O5/c1-8(2)19-12-7-11(17)13(10(5)16)15(14(12)18-6)20-9(3)4/h7-9,17H,1-6H3
InChIKeyNNCJYIHLGKCASE-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.18
Rot. Bonds6

About 1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone

1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone (PubChem CID 15345468) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone
PubChem CID15345468
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone
SMILESCOc1c(OC(C)C)cc(O)c(C(C)=O)c1OC(C)C
InChIInChI=1S/C15H22O5/c1-8(2)19-12-7-11(17)13(10(5)16)15(14(12)18-6)20-9(3)4/h7-9,17H,1-6H3
InChIKeyNNCJYIHLGKCASE-UHFFFAOYSA-N
XLogP3.18
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate
CID 18470661
1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 84693978
1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone
CID 15326154
2,5-di(propan-2-yloxy)benzene-1,4-diol
CID 70497584
(2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid
CID 10542024
1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone
CID 164895831
1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone
CID 156530971
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
3-chloro-4-methoxy-5-propan-2-yloxybenzamide
CID 152687907
1-(3-fluoro-6-hydroxy-2-methoxyphenyl)ethanone
CID 14118953
1-(6-bromo-2,3,4-trimethoxyphenyl)ethanone
CID 117466722
methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate
CID 169245923

Frequently Asked Questions

What is the IUPAC name of 1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone?
The IUPAC name of 1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone (CID 15345468) is 1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone.
What is the SMILES notation for 1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone?
The canonical SMILES for 1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone is COc1c(OC(C)C)cc(O)c(C(C)=O)c1OC(C)C.
What is the InChIKey of 1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone?
The InChIKey is NNCJYIHLGKCASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-8(2)19-12-7-11(17)13(10(5)16)15(14(12)18-6)20-9(3)4/h7-9,17H,1-6H3.
What are the key properties of 1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone?
1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone has a molecular weight of 282.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone is sourced from PubChem (CID 15345468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).