[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol

C17H27NO3 — CID 61494348

IUPAC[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
SMILESCCCOc1ccc(CO)c(OCCCN2CCCC2)c1
InChIInChI=1S/C17H27NO3/c1-2-11-20-16-7-6-15(14-19)17(13-16)21-12-5-10-18-8-3-4-9-18/h6-7,13,19H,2-5,8-12,14H2,1H3
InChIKeyGDPDZWHQTVYVGG-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.83
Rot. Bonds9

About [4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol

[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol (PubChem CID 61494348) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
PubChem CID61494348
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
SMILESCCCOc1ccc(CO)c(OCCCN2CCCC2)c1
InChIInChI=1S/C17H27NO3/c1-2-11-20-16-7-6-15(14-19)17(13-16)21-12-5-10-18-8-3-4-9-18/h6-7,13,19H,2-5,8-12,14H2,1H3
InChIKeyGDPDZWHQTVYVGG-UHFFFAOYSA-N
XLogP2.83
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,4-dipentoxyphenyl)methanol
CID 54794877
[5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 63325192
(2-cyclopentyloxy-4-propoxyphenyl)methanol
CID 43472228
[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726141
[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol
CID 106453700
3-[4-[(2,4-dipentoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856337
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide
CID 43472225
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 142876314
N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61493816

Frequently Asked Questions

What is the IUPAC name of [4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol?
The IUPAC name of [4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol (CID 61494348) is [4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol.
What is the SMILES notation for [4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol?
The canonical SMILES for [4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol is CCCOc1ccc(CO)c(OCCCN2CCCC2)c1.
What is the InChIKey of [4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol?
The InChIKey is GDPDZWHQTVYVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-11-20-16-7-6-15(14-19)17(13-16)21-12-5-10-18-8-3-4-9-18/h6-7,13,19H,2-5,8-12,14H2,1H3.
What are the key properties of [4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol?
[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol has a molecular weight of 293.41 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol is sourced from PubChem (CID 61494348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).