3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol

C12H18O4 — CID 170887561

IUPAC3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol
SMILESCOc1cc(CO)c(CCCO)c(OC)c1
InChIInChI=1S/C12H18O4/c1-15-10-6-9(8-14)11(4-3-5-13)12(7-10)16-2/h6-7,13-14H,3-5,8H2,1-2H3
InChIKeyGZLZMMYONZSRDE-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.12
Rot. Bonds6

About 3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol

3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol (PubChem CID 170887561) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol
PubChem CID170887561
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol
SMILESCOc1cc(CO)c(CCCO)c(OC)c1
InChIInChI=1S/C12H18O4/c1-15-10-6-9(8-14)11(4-3-5-13)12(7-10)16-2/h6-7,13-14H,3-5,8H2,1-2H3
InChIKeyGZLZMMYONZSRDE-UHFFFAOYSA-N
XLogP1.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol
CID 90759523
3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol
CID 117305985
3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
CID 117322230
2-(5-bromopentyl)-1,3,5-trimethoxybenzene
CID 56956628
5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol
CID 117289240
2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 162036765
bis[2-(hydroxymethyl)-4,6-dimethoxyphenyl]-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-methylphosphanium
CID 140870637
5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116927802
3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal
CID 117349022
4-(2-ethyl-3,5-dimethoxyphenyl)butan-1-amine
CID 117347671
(2,4,6-trimethoxyphenyl)methylsulfanylmethanol
CID 129121161
3-(hydroxymethyl)-5-methoxy-2-methylbenzoic acid
CID 141349379

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol?
The IUPAC name of 3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol (CID 170887561) is 3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol.
What is the SMILES notation for 3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol?
The canonical SMILES for 3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol is COc1cc(CO)c(CCCO)c(OC)c1.
What is the InChIKey of 3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol?
The InChIKey is GZLZMMYONZSRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-15-10-6-9(8-14)11(4-3-5-13)12(7-10)16-2/h6-7,13-14H,3-5,8H2,1-2H3.
What are the key properties of 3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol?
3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol has a molecular weight of 226.27 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol is sourced from PubChem (CID 170887561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).