[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol

C17H20O5 — CID 44578876

IUPAC[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2ccccc2CO)c(OC)c1OC
InChIInChI=1S/C17H20O5/c1-20-14-8-12(10-19)15(17(22-3)16(14)21-2)13-7-5-4-6-11(13)9-18/h4-8,18-19H,9-10H2,1-3H3
InChIKeyXUQLOFGVTMZTSI-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.36
Rot. Bonds6

About [2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol

[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol (PubChem CID 44578876) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is [2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol
PubChem CID44578876
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2ccccc2CO)c(OC)c1OC
InChIInChI=1S/C17H20O5/c1-20-14-8-12(10-19)15(17(22-3)16(14)21-2)13-7-5-4-6-11(13)9-18/h4-8,18-19H,9-10H2,1-3H3
InChIKeyXUQLOFGVTMZTSI-UHFFFAOYSA-N
XLogP2.36
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[6-(acetyloxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methyl acetate
CID 44579021
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
[2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol
CID 141218229
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 134898371
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride
CID 10062032
(1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
CID 160859326
6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one
CID 118359993
1,4-dimethoxy-2-(methoxymethyl)naphthalene
CID 143782720
[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol
CID 22557920
(1,4-dimethoxy-3-methylsulfanylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
CID 159541099
[4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol
CID 10620308

Frequently Asked Questions

What is the IUPAC name of [2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol?
The IUPAC name of [2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol (CID 44578876) is [2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol.
What is the SMILES notation for [2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol?
The canonical SMILES for [2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol is COc1cc(CO)c(-c2ccccc2CO)c(OC)c1OC.
What is the InChIKey of [2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol?
The InChIKey is XUQLOFGVTMZTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5/c1-20-14-8-12(10-19)15(17(22-3)16(14)21-2)13-7-5-4-6-11(13)9-18/h4-8,18-19H,9-10H2,1-3H3.
What are the key properties of [2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol?
[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol has a molecular weight of 304.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol is sourced from PubChem (CID 44578876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).