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

C16H18O4 — CID 57055631

IUPAC4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol
SMILESCCC(O)(c1ccc(O)cc1O)c1ccccc1OC
InChIInChI=1S/C16H18O4/c1-3-16(19,12-9-8-11(17)10-14(12)18)13-6-4-5-7-15(13)20-2/h4-10,17-19H,3H2,1-2H3
InChIKeyOYDFKGJMNGNHJO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.75
Rot. Bonds4

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

4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol (PubChem CID 57055631) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol
PubChem CID57055631
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol
SMILESCCC(O)(c1ccc(O)cc1O)c1ccccc1OC
InChIInChI=1S/C16H18O4/c1-3-16(19,12-9-8-11(17)10-14(12)18)13-6-4-5-7-15(13)20-2/h4-10,17-19H,3H2,1-2H3
InChIKeyOYDFKGJMNGNHJO-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
4-[hydroxy-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]phenol
CID 156785971
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
2-methoxyphenol;2-methylbenzene-1,4-diol
CID 161187108
3-(2-methoxyphenyl)-N-methylpentan-3-amine
CID 163486951
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
CID 174763347
CID 174763347
2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol
CID 82769735
1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol
CID 103394960

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol?
The IUPAC name of 4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol (CID 57055631) is 4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol is CCC(O)(c1ccc(O)cc1O)c1ccccc1OC.
What is the InChIKey of 4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol?
The InChIKey is OYDFKGJMNGNHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-3-16(19,12-9-8-11(17)10-14(12)18)13-6-4-5-7-15(13)20-2/h4-10,17-19H,3H2,1-2H3.
What are the key properties of 4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol?
4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol has a molecular weight of 274.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-1-(2-methoxyphenyl)propyl]benzene-1,3-diol is sourced from PubChem (CID 57055631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).