3-ethoxy-1-(3-methylphenyl)pentan-2-ol

C14H22O2 — CID 116711208

IUPAC3-ethoxy-1-(3-methylphenyl)pentan-2-ol
SMILESCCOC(CC)C(O)Cc1cccc(C)c1
InChIInChI=1S/C14H22O2/c1-4-14(16-5-2)13(15)10-12-8-6-7-11(3)9-12/h6-9,13-15H,4-5,10H2,1-3H3
InChIKeyDQSVRFFNEUVFBX-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.71
Rot. Bonds6

About 3-ethoxy-1-(3-methylphenyl)pentan-2-ol

3-ethoxy-1-(3-methylphenyl)pentan-2-ol (PubChem CID 116711208) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-ethoxy-1-(3-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name3-ethoxy-1-(3-methylphenyl)pentan-2-ol
PubChem CID116711208
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-ethoxy-1-(3-methylphenyl)pentan-2-ol
SMILESCCOC(CC)C(O)Cc1cccc(C)c1
InChIInChI=1S/C14H22O2/c1-4-14(16-5-2)13(15)10-12-8-6-7-11(3)9-12/h6-9,13-15H,4-5,10H2,1-3H3
InChIKeyDQSVRFFNEUVFBX-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-1-(3-methylphenyl)pentan-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

1,1-diethoxy-3-(3-methylphenyl)propan-2-ol
CID 79496151
3-ethoxy-1-(3-methylphenyl)pentan-2-amine
CID 116716414
1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
CID 106867571
2-ethoxy-3-(3-methylphenyl)propanoic acid
CID 84722685
4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol
CID 114978141
4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol
CID 115625003
2,4-bis(3-methylphenyl)butane-1,3-diol
CID 67076649
3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715238
3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine
CID 116718126
1-ethoxy-1-hydroxy-3-(3-methylphenyl)propan-2-one
CID 129106791
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
2-ethoxy-1-(3-methylphenyl)butan-1-amine
CID 116716374

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(3-methylphenyl)pentan-2-ol?
The IUPAC name of 3-ethoxy-1-(3-methylphenyl)pentan-2-ol (CID 116711208) is 3-ethoxy-1-(3-methylphenyl)pentan-2-ol.
What is the SMILES notation for 3-ethoxy-1-(3-methylphenyl)pentan-2-ol?
The canonical SMILES for 3-ethoxy-1-(3-methylphenyl)pentan-2-ol is CCOC(CC)C(O)Cc1cccc(C)c1.
What is the InChIKey of 3-ethoxy-1-(3-methylphenyl)pentan-2-ol?
The InChIKey is DQSVRFFNEUVFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-14(16-5-2)13(15)10-12-8-6-7-11(3)9-12/h6-9,13-15H,4-5,10H2,1-3H3.
What are the key properties of 3-ethoxy-1-(3-methylphenyl)pentan-2-ol?
3-ethoxy-1-(3-methylphenyl)pentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(3-methylphenyl)pentan-2-ol is sourced from PubChem (CID 116711208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).