3-methyl-2-phenylmethoxypentan-1-ol

C13H20O2 — CID 123785184

IUPAC3-methyl-2-phenylmethoxypentan-1-ol
SMILESCCC(C)C(CO)OCc1ccccc1
InChIInChI=1S/C13H20O2/c1-3-11(2)13(9-14)15-10-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3
InChIKeyXLKHSCAMDQOIGW-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.61
Rot. Bonds6

About 3-methyl-2-phenylmethoxypentan-1-ol

3-methyl-2-phenylmethoxypentan-1-ol (PubChem CID 123785184) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-methyl-2-phenylmethoxypentan-1-ol.

Molecular Properties

Compound Name3-methyl-2-phenylmethoxypentan-1-ol
PubChem CID123785184
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-methyl-2-phenylmethoxypentan-1-ol
SMILESCCC(C)C(CO)OCc1ccccc1
InChIInChI=1S/C13H20O2/c1-3-11(2)13(9-14)15-10-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3
InChIKeyXLKHSCAMDQOIGW-UHFFFAOYSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-phenylmethoxypentan-1-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

(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(4S)-5-methyl-4-phenylmethoxyheptan-2-one
CID 146230223
7-methyl-6-phenylmethoxynonan-1-ol
CID 174832736
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
(2S,4S)-4-methyl-2-[(1R)-1-phenylmethoxypropyl]hexan-1-ol
CID 101222253
4-methyl-2-phenylmethoxypentan-1-ol
CID 53397722
(2S)-2-phenylmethoxyhenicosane-1,3-diol
CID 70526440
3,4-bis(phenylmethoxy)pentan-1-ol
CID 123654711
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
butan-2-yloxymethylbenzene;ethane
CID 161043537
2-ethoxy-2-phenylmethoxyethanol
CID 57263714

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylmethoxypentan-1-ol?
The IUPAC name of 3-methyl-2-phenylmethoxypentan-1-ol (CID 123785184) is 3-methyl-2-phenylmethoxypentan-1-ol.
What is the SMILES notation for 3-methyl-2-phenylmethoxypentan-1-ol?
The canonical SMILES for 3-methyl-2-phenylmethoxypentan-1-ol is CCC(C)C(CO)OCc1ccccc1.
What is the InChIKey of 3-methyl-2-phenylmethoxypentan-1-ol?
The InChIKey is XLKHSCAMDQOIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-11(2)13(9-14)15-10-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3.
What are the key properties of 3-methyl-2-phenylmethoxypentan-1-ol?
3-methyl-2-phenylmethoxypentan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylmethoxypentan-1-ol is sourced from PubChem (CID 123785184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).