2-methyl-3-(4-propoxyphenyl)pentan-3-ol

C15H24O2 — CID 62796253

IUPAC2-methyl-3-(4-propoxyphenyl)pentan-3-ol
SMILESCCCOc1ccc(C(O)(CC)C(C)C)cc1
InChIInChI=1S/C15H24O2/c1-5-11-17-14-9-7-13(8-10-14)15(16,6-2)12(3)4/h7-10,12,16H,5-6,11H2,1-4H3
InChIKeyYTROVSRFESFPRD-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.73
Rot. Bonds6

About 2-methyl-3-(4-propoxyphenyl)pentan-3-ol

2-methyl-3-(4-propoxyphenyl)pentan-3-ol (PubChem CID 62796253) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-methyl-3-(4-propoxyphenyl)pentan-3-ol.

Molecular Properties

Compound Name2-methyl-3-(4-propoxyphenyl)pentan-3-ol
PubChem CID62796253
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-methyl-3-(4-propoxyphenyl)pentan-3-ol
SMILESCCCOc1ccc(C(O)(CC)C(C)C)cc1
InChIInChI=1S/C15H24O2/c1-5-11-17-14-9-7-13(8-10-14)15(16,6-2)12(3)4/h7-10,12,16H,5-6,11H2,1-4H3
InChIKeyYTROVSRFESFPRD-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(4-propoxyphenyl)pentan-3-ol 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

1,1,1-trifluoro-2-(4-propoxyphenyl)butan-2-ol
CID 83957964
3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile
CID 154155792
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238
2-hydroxy-2-(4-propoxyphenyl)propanoic acid
CID 61237802
1-(4-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 62795916
tert-butyl N-[1-hydroxy-1-(4-propoxyphenyl)ethyl]carbamate
CID 174717157
2-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640
3-methyl-2-(4-propoxyphenyl)pentan-2-amine
CID 55120756
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
ethyl 2-ethyl-3-hydroxy-3-(4-propoxyphenyl)butanoate
CID 62394724
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propoxyphenyl)pentan-3-ol?
The IUPAC name of 2-methyl-3-(4-propoxyphenyl)pentan-3-ol (CID 62796253) is 2-methyl-3-(4-propoxyphenyl)pentan-3-ol.
What is the SMILES notation for 2-methyl-3-(4-propoxyphenyl)pentan-3-ol?
The canonical SMILES for 2-methyl-3-(4-propoxyphenyl)pentan-3-ol is CCCOc1ccc(C(O)(CC)C(C)C)cc1.
What is the InChIKey of 2-methyl-3-(4-propoxyphenyl)pentan-3-ol?
The InChIKey is YTROVSRFESFPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-11-17-14-9-7-13(8-10-14)15(16,6-2)12(3)4/h7-10,12,16H,5-6,11H2,1-4H3.
What are the key properties of 2-methyl-3-(4-propoxyphenyl)pentan-3-ol?
2-methyl-3-(4-propoxyphenyl)pentan-3-ol has a molecular weight of 236.35 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propoxyphenyl)pentan-3-ol is sourced from PubChem (CID 62796253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).