2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol

C16H18O4 — CID 154195853

IUPAC2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol
SMILESCOc1ccc(C(O)C(C)c2c(O)cccc2O)cc1
InChIInChI=1S/C16H18O4/c1-10(15-13(17)4-3-5-14(15)18)16(19)11-6-8-12(20-2)9-7-11/h3-10,16-19H,1-2H3
InChIKeyAZUCWOCEESVRJM-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.94
Rot. Bonds4

About 2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol

2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol (PubChem CID 154195853) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol
PubChem CID154195853
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol
SMILESCOc1ccc(C(O)C(C)c2c(O)cccc2O)cc1
InChIInChI=1S/C16H18O4/c1-10(15-13(17)4-3-5-14(15)18)16(19)11-6-8-12(20-2)9-7-11/h3-10,16-19H,1-2H3
InChIKeyAZUCWOCEESVRJM-UHFFFAOYSA-N
XLogP2.94
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol?
The IUPAC name of 2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol (CID 154195853) is 2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol?
The canonical SMILES for 2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol is COc1ccc(C(O)C(C)c2c(O)cccc2O)cc1.
What is the InChIKey of 2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol?
The InChIKey is AZUCWOCEESVRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-10(15-13(17)4-3-5-14(15)18)16(19)11-6-8-12(20-2)9-7-11/h3-10,16-19H,1-2H3.
What are the key properties of 2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol?
2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol has a molecular weight of 274.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol is sourced from PubChem (CID 154195853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).