1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone

C14H18O5 — CID 162894737

IUPAC1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone
SMILESCc1c(O)cc(C(=O)C(O)C2CCC(C)O2)cc1O
InChIInChI=1S/C14H18O5/c1-7-3-4-12(19-7)14(18)13(17)9-5-10(15)8(2)11(16)6-9/h5-7,12,14-16,18H,3-4H2,1-2H3
InChIKeyIVPHPOWDCQBSHT-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.52
Rot. Bonds3

About 1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone

1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone (PubChem CID 162894737) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone
PubChem CID162894737
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone
SMILESCc1c(O)cc(C(=O)C(O)C2CCC(C)O2)cc1O
InChIInChI=1S/C14H18O5/c1-7-3-4-12(19-7)14(18)13(17)9-5-10(15)8(2)11(16)6-9/h5-7,12,14-16,18H,3-4H2,1-2H3
InChIKeyIVPHPOWDCQBSHT-UHFFFAOYSA-N
XLogP1.52
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone?
The IUPAC name of 1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone (CID 162894737) is 1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone.
What is the SMILES notation for 1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone?
The canonical SMILES for 1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone is Cc1c(O)cc(C(=O)C(O)C2CCC(C)O2)cc1O.
What is the InChIKey of 1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone?
The InChIKey is IVPHPOWDCQBSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-7-3-4-12(19-7)14(18)13(17)9-5-10(15)8(2)11(16)6-9/h5-7,12,14-16,18H,3-4H2,1-2H3.
What are the key properties of 1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone?
1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone has a molecular weight of 266.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-(5-methyloxolan-2-yl)ethanone is sourced from PubChem (CID 162894737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).