4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride

C25H36ClNO — CID 173241718

IUPAC4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride
SMILESCCCCCC(CCN1CCCC1)(c1ccccc1)c1cc(C)ccc1O.Cl
InChIInChI=1S/C25H35NO.ClH/c1-3-4-8-15-25(22-11-6-5-7-12-22,16-19-26-17-9-10-18-26)23-20-21(2)13-14-24(23)27;/h5-7,11-14,20,27H,3-4,8-10,15-19H2,1-2H3;1H
InChIKeyIPMIRLRCPIQQGH-UHFFFAOYSA-N
MW402.02 g/mol
LogP6.47
Rot. Bonds9

About 4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride

4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride (PubChem CID 173241718) has the molecular formula C25H36ClNO and a molecular weight of 402.02 g/mol. Its IUPAC name is 4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride
PubChem CID173241718
Molecular FormulaC25H36ClNO
Molecular Weight402.02 g/mol
Exact Mass401.25
IUPAC Name4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride
SMILESCCCCCC(CCN1CCCC1)(c1ccccc1)c1cc(C)ccc1O.Cl
InChIInChI=1S/C25H35NO.ClH/c1-3-4-8-15-25(22-11-6-5-7-12-22,16-19-26-17-9-10-18-26)23-20-21(2)13-14-24(23)27;/h5-7,11-14,20,27H,3-4,8-10,15-19H2,1-2H3;1H
InChIKeyIPMIRLRCPIQQGH-UHFFFAOYSA-N
XLogP6.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.02
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-phenylnonacosan-15-ylbenzene
CID 141310981
2-hydroxy-6-methyl-3-(5-phenyldecan-5-yl)benzoic acid
CID 139676728
2,2-diphenyl-5-piperidin-1-ylpentan-1-amine
CID 22767303
2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol
CID 54404925
1-(3,3-diphenyl-3-propoxypropyl)piperidine
CID 163484740
2-ethyl-2-phenyl-4-piperidin-1-ylbutanamide
CID 18110
2-hydroxy-6-methyl-3-(3-phenyldecan-3-yl)benzoic acid
CID 139676735
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol
CID 57009241
(1-butylazepan-4-yl)-diphenylmethanol
CID 21135914
(1-chloro-2-phenylundecan-2-yl)benzene
CID 152536169
1-(2,4-dimethylphenyl)-1-phenylpentan-1-ol
CID 14907355

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride?
The IUPAC name of 4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride (CID 173241718) is 4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride.
What is the SMILES notation for 4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride?
The canonical SMILES for 4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride is CCCCCC(CCN1CCCC1)(c1ccccc1)c1cc(C)ccc1O.Cl.
What is the InChIKey of 4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride?
The InChIKey is IPMIRLRCPIQQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO.ClH/c1-3-4-8-15-25(22-11-6-5-7-12-22,16-19-26-17-9-10-18-26)23-20-21(2)13-14-24(23)27;/h5-7,11-14,20,27H,3-4,8-10,15-19H2,1-2H3;1H.
What are the key properties of 4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride?
4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride has a molecular weight of 402.02 g/mol, XLogP of 6.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-phenyl-1-pyrrolidin-1-yloctan-3-yl)phenol;hydrochloride is sourced from PubChem (CID 173241718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).