2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid)

C17H26N2O6 — CID 118271940

IUPAC2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid)
SMILESO=C(O)N1CCCC1.O=C(O)N1CCCC1.OCc1ccccc1O
InChIInChI=1S/C7H8O2.2C5H9NO2/c8-5-6-3-1-2-4-7(6)9;2*7-5(8)6-3-1-2-4-6/h1-4,8-9H,5H2;2*1-4H2,(H,7,8)
InChIKeyFILOZADPWBDZHC-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.40
Rot. Bonds1

About 2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid)

2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid) (PubChem CID 118271940) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid).

Molecular Properties

Compound Name2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid)
PubChem CID118271940
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid)
SMILESO=C(O)N1CCCC1.O=C(O)N1CCCC1.OCc1ccccc1O
InChIInChI=1S/C7H8O2.2C5H9NO2/c8-5-6-3-1-2-4-7(6)9;2*7-5(8)6-3-1-2-4-6/h1-4,8-9H,5H2;2*1-4H2,(H,7,8)
InChIKeyFILOZADPWBDZHC-UHFFFAOYSA-N
XLogP2.40
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 137424646
2-(hydroxymethyl)phenol;methane
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N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990769
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 44828315
piperidine-1-carboxylic acid;styrene
CID 174300067
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol
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2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid)?
The IUPAC name of 2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid) (CID 118271940) is 2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid).
What is the SMILES notation for 2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid)?
The canonical SMILES for 2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid) is O=C(O)N1CCCC1.O=C(O)N1CCCC1.OCc1ccccc1O.
What is the InChIKey of 2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid)?
The InChIKey is FILOZADPWBDZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.2C5H9NO2/c8-5-6-3-1-2-4-7(6)9;2*7-5(8)6-3-1-2-4-6/h1-4,8-9H,5H2;2*1-4H2,(H,7,8).
What are the key properties of 2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid)?
2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid) has a molecular weight of 354.40 g/mol, XLogP of 2.40, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid) is sourced from PubChem (CID 118271940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).