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

C14H22O2 — CID 116711307

IUPAC2-ethoxy-1-(3-methylphenyl)pentan-1-ol
SMILESCCCC(OCC)C(O)c1cccc(C)c1
InChIInChI=1S/C14H22O2/c1-4-7-13(16-5-2)14(15)12-9-6-8-11(3)10-12/h6,8-10,13-15H,4-5,7H2,1-3H3
InChIKeyRSPHGFGVFAVFJY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.23
Rot. Bonds6

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

2-ethoxy-1-(3-methylphenyl)pentan-1-ol (PubChem CID 116711307) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-ethoxy-1-(3-methylphenyl)pentan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-(3-methylphenyl)pentan-1-ol
PubChem CID116711307
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-ethoxy-1-(3-methylphenyl)pentan-1-ol
SMILESCCCC(OCC)C(O)c1cccc(C)c1
InChIInChI=1S/C14H22O2/c1-4-7-13(16-5-2)14(15)12-9-6-8-11(3)10-12/h6,8-10,13-15H,4-5,7H2,1-3H3
InChIKeyRSPHGFGVFAVFJY-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethoxy-1-(3-methylphenyl)ethanol
CID 79494986
2-ethoxy-1-(4-methylphenyl)pentan-1-ol
CID 116711377
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
1-(4-chlorophenyl)-2-ethoxypentan-1-ol
CID 116711364
ethyl (3R)-2-fluoro-3-hydroxy-3-(3-methylphenyl)propanoate
CID 23236665
2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol
CID 116711503
2-ethoxy-1-(3-methylphenyl)butan-1-amine
CID 116716374
1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol
CID 116711399
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol
CID 116711365
2-ethoxy-1-(3-ethylphenyl)butan-1-ol
CID 116711098
1-(1-chloropentan-2-yl)-3-methylbenzene
CID 79417033
(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
CID 134966873

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-methylphenyl)pentan-1-ol?
The IUPAC name of 2-ethoxy-1-(3-methylphenyl)pentan-1-ol (CID 116711307) is 2-ethoxy-1-(3-methylphenyl)pentan-1-ol.
What is the SMILES notation for 2-ethoxy-1-(3-methylphenyl)pentan-1-ol?
The canonical SMILES for 2-ethoxy-1-(3-methylphenyl)pentan-1-ol is CCCC(OCC)C(O)c1cccc(C)c1.
What is the InChIKey of 2-ethoxy-1-(3-methylphenyl)pentan-1-ol?
The InChIKey is RSPHGFGVFAVFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-7-13(16-5-2)14(15)12-9-6-8-11(3)10-12/h6,8-10,13-15H,4-5,7H2,1-3H3.
What are the key properties of 2-ethoxy-1-(3-methylphenyl)pentan-1-ol?
2-ethoxy-1-(3-methylphenyl)pentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-methylphenyl)pentan-1-ol is sourced from PubChem (CID 116711307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).