[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol

C16H18O4 — CID 642903

IUPAC[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1-c1cc(CO)ccc1OC
InChIInChI=1S/C16H18O4/c1-19-15-5-3-11(9-17)7-13(15)14-8-12(10-18)4-6-16(14)20-2/h3-8,17-18H,9-10H2,1-2H3
InChIKeyAXGFIBLBLTVQLR-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.36
Rot. Bonds5

About [3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol

[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol (PubChem CID 642903) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is [3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
PubChem CID642903
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1-c1cc(CO)ccc1OC
InChIInChI=1S/C16H18O4/c1-19-15-5-3-11(9-17)7-13(15)14-8-12(10-18)4-6-16(14)20-2/h3-8,17-18H,9-10H2,1-2H3
InChIKeyAXGFIBLBLTVQLR-UHFFFAOYSA-N
XLogP2.36
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-aminophenyl)-4-methoxyphenyl]methanol
CID 175863729
[3-(4-ethoxyphenyl)-4-methoxyphenyl]methanol
CID 94272407
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
[5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid
CID 142791148
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952
5-(hydroxymethyl)-2-methoxybenzenesulfonic acid
CID 87294269
[4-(hydroxymethyl)-2-methoxyphenyl] formate
CID 134186869
3-hydroxy-6-(hydroxymethyl)-2-methoxyanthracene-9,10-dione
CID 90723068
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
(3-butan-2-yloxy-4-methoxyphenyl)methanol
CID 43209251
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
CID 28562276

Frequently Asked Questions

What is the IUPAC name of [3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol?
The IUPAC name of [3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol (CID 642903) is [3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol?
The canonical SMILES for [3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol is COc1ccc(CO)cc1-c1cc(CO)ccc1OC.
What is the InChIKey of [3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol?
The InChIKey is AXGFIBLBLTVQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-19-15-5-3-11(9-17)7-13(15)14-8-12(10-18)4-6-16(14)20-2/h3-8,17-18H,9-10H2,1-2H3.
What are the key properties of [3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol?
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol has a molecular weight of 274.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol is sourced from PubChem (CID 642903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).