(3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol

C13H19NO2 — CID 175660928

IUPAC(3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol
SMILESCCCc1ccc(O[C@H]2CNC[C@@H]2O)cc1
InChIInChI=1S/C13H19NO2/c1-2-3-10-4-6-11(7-5-10)16-13-9-14-8-12(13)15/h4-7,12-15H,2-3,8-9H2,1H3/t12-,13-/m0/s1
InChIKeyGJNVLXPNUVIDAN-STQMWFEESA-N
MW221.30 g/mol
LogP1.35
Rot. Bonds4

About (3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol

(3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol (PubChem CID 175660928) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol
PubChem CID175660928
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol
SMILESCCCc1ccc(O[C@H]2CNC[C@@H]2O)cc1
InChIInChI=1S/C13H19NO2/c1-2-3-10-4-6-11(7-5-10)16-13-9-14-8-12(13)15/h4-7,12-15H,2-3,8-9H2,1H3/t12-,13-/m0/s1
InChIKeyGJNVLXPNUVIDAN-STQMWFEESA-N
XLogP1.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-iodophenoxy)pyrrolidin-3-ol
CID 63702649
(3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol
CID 67294277
3-phenyl-4-(4-propylphenoxy)piperidine
CID 91184219
1-cyclobutyloxy-4-propylbenzene
CID 178141621
4-[3-(methoxymethyl)phenoxy]pyrrolidin-3-ol
CID 63986575
2-[4-(azetidin-3-yloxy)phenyl]ethanol
CID 107708914
N-methyl-2-(4-propylphenoxy)cyclopentan-1-amine
CID 55085230
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120944783
2-ethyl-2-methyl-3-(4-propylphenoxy)cyclobutan-1-ol
CID 66343544
2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one
CID 104675205
2-[(4-propylphenoxy)methyl]thiirane
CID 23058142
azetidin-3-yl-(4-propylphenyl)methanone
CID 116583611

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol (CID 175660928) is (3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol is CCCc1ccc(O[C@H]2CNC[C@@H]2O)cc1.
What is the InChIKey of (3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol?
The InChIKey is GJNVLXPNUVIDAN-STQMWFEESA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-10-4-6-11(7-5-10)16-13-9-14-8-12(13)15/h4-7,12-15H,2-3,8-9H2,1H3/t12-,13-/m0/s1.
What are the key properties of (3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol?
(3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4-propylphenoxy)pyrrolidin-3-ol is sourced from PubChem (CID 175660928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).