[3-(hydroxymethyl)-5-(propylamino)phenyl]methanol

C11H17NO2 — CID 143515800

IUPAC[3-(hydroxymethyl)-5-(propylamino)phenyl]methanol
SMILESCCCNc1cc(CO)cc(CO)c1
InChIInChI=1S/C11H17NO2/c1-2-3-12-11-5-9(7-13)4-10(6-11)8-14/h4-6,12-14H,2-3,7-8H2,1H3
InChIKeyZCLRWPDVZBGKPD-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.49
Rot. Bonds5

About [3-(hydroxymethyl)-5-(propylamino)phenyl]methanol

[3-(hydroxymethyl)-5-(propylamino)phenyl]methanol (PubChem CID 143515800) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is [3-(hydroxymethyl)-5-(propylamino)phenyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-5-(propylamino)phenyl]methanol
PubChem CID143515800
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[3-(hydroxymethyl)-5-(propylamino)phenyl]methanol
SMILESCCCNc1cc(CO)cc(CO)c1
InChIInChI=1S/C11H17NO2/c1-2-3-12-11-5-9(7-13)4-10(6-11)8-14/h4-6,12-14H,2-3,7-8H2,1H3
InChIKeyZCLRWPDVZBGKPD-UHFFFAOYSA-N
XLogP1.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-5-(propylamino)phenyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-5-(propylamino)phenyl]methanol (CID 143515800) is [3-(hydroxymethyl)-5-(propylamino)phenyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-5-(propylamino)phenyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-5-(propylamino)phenyl]methanol is CCCNc1cc(CO)cc(CO)c1.
What is the InChIKey of [3-(hydroxymethyl)-5-(propylamino)phenyl]methanol?
The InChIKey is ZCLRWPDVZBGKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-12-11-5-9(7-13)4-10(6-11)8-14/h4-6,12-14H,2-3,7-8H2,1H3.
What are the key properties of [3-(hydroxymethyl)-5-(propylamino)phenyl]methanol?
[3-(hydroxymethyl)-5-(propylamino)phenyl]methanol has a molecular weight of 195.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-5-(propylamino)phenyl]methanol is sourced from PubChem (CID 143515800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).