ethane;1-(3-methylphenyl)butan-1-ol

C13H22O — CID 143891671

IUPACethane;1-(3-methylphenyl)butan-1-ol
SMILESCC.CCCC(O)c1cccc(C)c1
InChIInChI=1S/C11H16O.C2H6/c1-3-5-11(12)10-7-4-6-9(2)8-10;1-2/h4,6-8,11-12H,3,5H2,1-2H3;1-2H3
InChIKeyGECGLRWUFZDGCA-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.85
Rot. Bonds3

About ethane;1-(3-methylphenyl)butan-1-ol

ethane;1-(3-methylphenyl)butan-1-ol (PubChem CID 143891671) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;1-(3-methylphenyl)butan-1-ol.

Molecular Properties

Compound Nameethane;1-(3-methylphenyl)butan-1-ol
PubChem CID143891671
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Nameethane;1-(3-methylphenyl)butan-1-ol
SMILESCC.CCCC(O)c1cccc(C)c1
InChIInChI=1S/C11H16O.C2H6/c1-3-5-11(12)10-7-4-6-9(2)8-10;1-2/h4,6-8,11-12H,3,5H2,1-2H3;1-2H3
InChIKeyGECGLRWUFZDGCA-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

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Related Compounds

1-(3-methylphenyl)decan-1-ol
CID 63411280
1-(3-methylphenyl)-3-propoxypropan-1-ol
CID 105077821
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-(3-bromophenyl)butan-1-ol
CID 18417756
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
CID 114473799
4-methoxy-1-(3-methylphenyl)butan-1-ol
CID 62608574
(1S)-4-imino-1-(3-methylphenyl)pentan-1-ol
CID 157258661
3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624007
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
1-(3-methylphenyl)butane-1-thiol
CID 175144384
(1S)-1-(3-methylsulfanylphenyl)butan-1-ol
CID 97293427

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methylphenyl)butan-1-ol?
The IUPAC name of ethane;1-(3-methylphenyl)butan-1-ol (CID 143891671) is ethane;1-(3-methylphenyl)butan-1-ol.
What is the SMILES notation for ethane;1-(3-methylphenyl)butan-1-ol?
The canonical SMILES for ethane;1-(3-methylphenyl)butan-1-ol is CC.CCCC(O)c1cccc(C)c1.
What is the InChIKey of ethane;1-(3-methylphenyl)butan-1-ol?
The InChIKey is GECGLRWUFZDGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C2H6/c1-3-5-11(12)10-7-4-6-9(2)8-10;1-2/h4,6-8,11-12H,3,5H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-methylphenyl)butan-1-ol?
ethane;1-(3-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-(3-methylphenyl)butan-1-ol is sourced from PubChem (CID 143891671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).