ethane;1-(4-methylphenyl)butan-1-ol

C13H22O — CID 143727962

IUPACethane;1-(4-methylphenyl)butan-1-ol
SMILESCC.CCCC(O)c1ccc(C)cc1
InChIInChI=1S/C11H16O.C2H6/c1-3-4-11(12)10-7-5-9(2)6-8-10;1-2/h5-8,11-12H,3-4H2,1-2H3;1-2H3
InChIKeyGSVWSKXKXOUZBT-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.85
Rot. Bonds3

About ethane;1-(4-methylphenyl)butan-1-ol

ethane;1-(4-methylphenyl)butan-1-ol (PubChem CID 143727962) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;1-(4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Nameethane;1-(4-methylphenyl)butan-1-ol
PubChem CID143727962
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Nameethane;1-(4-methylphenyl)butan-1-ol
SMILESCC.CCCC(O)c1ccc(C)cc1
InChIInChI=1S/C11H16O.C2H6/c1-3-4-11(12)10-7-5-9(2)6-8-10;1-2/h5-8,11-12H,3-4H2,1-2H3;1-2H3
InChIKeyGSVWSKXKXOUZBT-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;1-(4-methylphenyl)butan-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

1-(1-azidobutyl)-4-methylbenzene;1-(4-methylphenyl)butan-1-ol
CID 162117278
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol
CID 138485794
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
3-(methylamino)-1-(4-methylphenyl)propan-1-ol
CID 22925331
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105084361
1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62618647
1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol
CID 66629628
4-(methylamino)-1-(4-methylphenyl)butan-1-ol
CID 23009156

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenyl)butan-1-ol?
The IUPAC name of ethane;1-(4-methylphenyl)butan-1-ol (CID 143727962) is ethane;1-(4-methylphenyl)butan-1-ol.
What is the SMILES notation for ethane;1-(4-methylphenyl)butan-1-ol?
The canonical SMILES for ethane;1-(4-methylphenyl)butan-1-ol is CC.CCCC(O)c1ccc(C)cc1.
What is the InChIKey of ethane;1-(4-methylphenyl)butan-1-ol?
The InChIKey is GSVWSKXKXOUZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C2H6/c1-3-4-11(12)10-7-5-9(2)6-8-10;1-2/h5-8,11-12H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-methylphenyl)butan-1-ol?
ethane;1-(4-methylphenyl)butan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenyl)butan-1-ol is sourced from PubChem (CID 143727962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).