3-ethyl-3-methoxy-1-phenylpentan-2-ol

C14H22O2 — CID 116752734

IUPAC3-ethyl-3-methoxy-1-phenylpentan-2-ol
SMILESCCC(CC)(OC)C(O)Cc1ccccc1
InChIInChI=1S/C14H22O2/c1-4-14(5-2,16-3)13(15)11-12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3
InChIKeyGLNLGRQVEHIFIA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.80
Rot. Bonds6

About 3-ethyl-3-methoxy-1-phenylpentan-2-ol

3-ethyl-3-methoxy-1-phenylpentan-2-ol (PubChem CID 116752734) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-1-phenylpentan-2-ol.

Molecular Properties

Compound Name3-ethyl-3-methoxy-1-phenylpentan-2-ol
PubChem CID116752734
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-ethyl-3-methoxy-1-phenylpentan-2-ol
SMILESCCC(CC)(OC)C(O)Cc1ccccc1
InChIInChI=1S/C14H22O2/c1-4-14(5-2,16-3)13(15)11-12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3
InChIKeyGLNLGRQVEHIFIA-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-3-methoxy-1-phenylpentan-2-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

3-ethoxy-3-ethyl-1-phenylpentan-2-ol
CID 116752448
3,3-diethyl-1-phenylpentan-2-ol
CID 141275578
3-ethyl-3-methoxy-N-methyl-1-phenylpentan-2-amine
CID 116760798
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol
CID 116752855
acetic acid;1,1,1-trichloro-3-phenylpropan-2-ol
CID 174431181
2-methoxy-2-methyl-6-phenylhexan-3-ol
CID 79197404
(3S)-2-benzyl-4-phenylbutane-1,2,3-triol
CID 66810886
2,3-dihydroxy-2-methyl-4-phenylbutanoic acid
CID 77254762
1,6-diphenylhexane-2,5-diol
CID 15072586
1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol
CID 116751904

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-1-phenylpentan-2-ol?
The IUPAC name of 3-ethyl-3-methoxy-1-phenylpentan-2-ol (CID 116752734) is 3-ethyl-3-methoxy-1-phenylpentan-2-ol.
What is the SMILES notation for 3-ethyl-3-methoxy-1-phenylpentan-2-ol?
The canonical SMILES for 3-ethyl-3-methoxy-1-phenylpentan-2-ol is CCC(CC)(OC)C(O)Cc1ccccc1.
What is the InChIKey of 3-ethyl-3-methoxy-1-phenylpentan-2-ol?
The InChIKey is GLNLGRQVEHIFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-14(5-2,16-3)13(15)11-12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3.
What are the key properties of 3-ethyl-3-methoxy-1-phenylpentan-2-ol?
3-ethyl-3-methoxy-1-phenylpentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-1-phenylpentan-2-ol is sourced from PubChem (CID 116752734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).