[(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol

C19H31NO — CID 147473503

IUPAC[(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol
SMILESCCCCCCCCc1ccc([C@H]2CCNC2CO)cc1
InChIInChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18-13-14-20-19(18)15-21/h9-12,18-21H,2-8,13-15H2,1H3/t18-,19?/m1/s1
InChIKeyFCFUUVQZYSWJLH-MRTLOADZSA-N
MW289.46 g/mol
LogP4.03
Rot. Bonds9

About [(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol

[(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol (PubChem CID 147473503) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol
PubChem CID147473503
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol
SMILESCCCCCCCCc1ccc([C@H]2CCNC2CO)cc1
InChIInChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18-13-14-20-19(18)15-21/h9-12,18-21H,2-8,13-15H2,1H3/t18-,19?/m1/s1
InChIKeyFCFUUVQZYSWJLH-MRTLOADZSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S)-3-[(4-octylphenyl)methoxy]pyrrolidin-2-yl]methanol
CID 72704518
2-(4-butylphenyl)azetidine
CID 55273387
4-[[(2S,3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methoxy]-1-pyridin-3-ylbutan-1-ol;hydrochloride
CID 155526154
10-[5-[[(2S,3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methoxy]pentyl]phenothiazine;hydrochloride
CID 155535487
1-[(3R)-3-hydroxypyrrolidin-2-yl]-2-(4-octylphenyl)ethanone
CID 58507095
1-butyl-4-nonylbenzene
CID 59545302
zinc;2-(4-octylphenyl)-1,2,5,6-tetrahydropyrimidin-4-amine;dichloride
CID 158535069
N-[2-(4-piperidin-4-ylphenyl)ethyl]pentan-1-amine
CID 143637882
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
(3-pyridin-3-ylpyrrolidin-2-yl)methanol
CID 126982382
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
2-chloro-4-octylphenol;pyrrolidin-2-ylmethanol
CID 143734026

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol (CID 147473503) is [(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol is CCCCCCCCc1ccc([C@H]2CCNC2CO)cc1.
What is the InChIKey of [(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol?
The InChIKey is FCFUUVQZYSWJLH-MRTLOADZSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18-13-14-20-19(18)15-21/h9-12,18-21H,2-8,13-15H2,1H3/t18-,19?/m1/s1.
What are the key properties of [(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol?
[(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol has a molecular weight of 289.46 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 147473503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).