4-methyl-2-phenylmethoxypentan-1-ol

C13H20O2 — CID 53397722

IUPAC4-methyl-2-phenylmethoxypentan-1-ol
SMILESCC(C)CC(CO)OCc1ccccc1
InChIInChI=1S/C13H20O2/c1-11(2)8-13(9-14)15-10-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3
InChIKeyOOKYTXXSZUTCSZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.61
Rot. Bonds6

About 4-methyl-2-phenylmethoxypentan-1-ol

4-methyl-2-phenylmethoxypentan-1-ol (PubChem CID 53397722) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-methyl-2-phenylmethoxypentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-phenylmethoxypentan-1-ol
PubChem CID53397722
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-methyl-2-phenylmethoxypentan-1-ol
SMILESCC(C)CC(CO)OCc1ccccc1
InChIInChI=1S/C13H20O2/c1-11(2)8-13(9-14)15-10-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3
InChIKeyOOKYTXXSZUTCSZ-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 4-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

(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
(1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene
CID 155015010
3-chloro-2-phenylmethoxypropan-1-ol
CID 13356685
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371
3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431
4-methoxy-2-phenylmethoxy-4-phenylsulfanylbutan-1-ol
CID 71659157
3-methyl-2-phenylmethoxypentan-1-ol
CID 123785184
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(3R)-5-methyl-3-phenylmethoxyhexan-2-one
CID 11042263
2-[2-[2-(2-phenylmethoxypropoxy)propoxy]propoxy]propan-1-ol
CID 139744930

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylmethoxypentan-1-ol?
The IUPAC name of 4-methyl-2-phenylmethoxypentan-1-ol (CID 53397722) is 4-methyl-2-phenylmethoxypentan-1-ol.
What is the SMILES notation for 4-methyl-2-phenylmethoxypentan-1-ol?
The canonical SMILES for 4-methyl-2-phenylmethoxypentan-1-ol is CC(C)CC(CO)OCc1ccccc1.
What is the InChIKey of 4-methyl-2-phenylmethoxypentan-1-ol?
The InChIKey is OOKYTXXSZUTCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-11(2)8-13(9-14)15-10-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3.
What are the key properties of 4-methyl-2-phenylmethoxypentan-1-ol?
4-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 4-methyl-2-phenylmethoxypentan-1-ol is sourced from PubChem (CID 53397722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).