5-ethyl-1-(4-methylphenyl)heptan-3-ol

C16H26O — CID 105122523

IUPAC5-ethyl-1-(4-methylphenyl)heptan-3-ol
SMILESCCC(CC)CC(O)CCc1ccc(C)cc1
InChIInChI=1S/C16H26O/c1-4-14(5-2)12-16(17)11-10-15-8-6-13(3)7-9-15/h6-9,14,16-17H,4-5,10-12H2,1-3H3
InChIKeyZQHONSRKOVOFEW-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.11
Rot. Bonds7

About 5-ethyl-1-(4-methylphenyl)heptan-3-ol

5-ethyl-1-(4-methylphenyl)heptan-3-ol (PubChem CID 105122523) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 5-ethyl-1-(4-methylphenyl)heptan-3-ol.

Molecular Properties

Compound Name5-ethyl-1-(4-methylphenyl)heptan-3-ol
PubChem CID105122523
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name5-ethyl-1-(4-methylphenyl)heptan-3-ol
SMILESCCC(CC)CC(O)CCc1ccc(C)cc1
InChIInChI=1S/C16H26O/c1-4-14(5-2)12-16(17)11-10-15-8-6-13(3)7-9-15/h6-9,14,16-17H,4-5,10-12H2,1-3H3
InChIKeyZQHONSRKOVOFEW-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
1-(4-methylphenyl)dodecan-3-ol
CID 105084894
4-ethyl-1-(4-methylphenyl)octan-2-ol
CID 63410684
3-hydroxy-5-(4-methylphenyl)pentanenitrile
CID 82075409
4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol
CID 82920228
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
2-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
CID 130315848
5-(4-methylphenyl)pentane-2,3-diol
CID 67119841
1-cyclopropyl-5-(4-methylphenyl)pentan-3-ol
CID 105105823
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
CID 11034432
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methylphenyl)heptan-3-ol?
The IUPAC name of 5-ethyl-1-(4-methylphenyl)heptan-3-ol (CID 105122523) is 5-ethyl-1-(4-methylphenyl)heptan-3-ol.
What is the SMILES notation for 5-ethyl-1-(4-methylphenyl)heptan-3-ol?
The canonical SMILES for 5-ethyl-1-(4-methylphenyl)heptan-3-ol is CCC(CC)CC(O)CCc1ccc(C)cc1.
What is the InChIKey of 5-ethyl-1-(4-methylphenyl)heptan-3-ol?
The InChIKey is ZQHONSRKOVOFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-4-14(5-2)12-16(17)11-10-15-8-6-13(3)7-9-15/h6-9,14,16-17H,4-5,10-12H2,1-3H3.
What are the key properties of 5-ethyl-1-(4-methylphenyl)heptan-3-ol?
5-ethyl-1-(4-methylphenyl)heptan-3-ol has a molecular weight of 234.38 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methylphenyl)heptan-3-ol is sourced from PubChem (CID 105122523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).