3-ethyl-1-(2-methylphenyl)heptan-1-ol

C16H26O — CID 63411121

IUPAC3-ethyl-1-(2-methylphenyl)heptan-1-ol
SMILESCCCCC(CC)CC(O)c1ccccc1C
InChIInChI=1S/C16H26O/c1-4-6-10-14(5-2)12-16(17)15-11-8-7-9-13(15)3/h7-9,11,14,16-17H,4-6,10,12H2,1-3H3
InChIKeyYILXHCDDVWSBLW-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.63
Rot. Bonds7

About 3-ethyl-1-(2-methylphenyl)heptan-1-ol

3-ethyl-1-(2-methylphenyl)heptan-1-ol (PubChem CID 63411121) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylphenyl)heptan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(2-methylphenyl)heptan-1-ol
PubChem CID63411121
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name3-ethyl-1-(2-methylphenyl)heptan-1-ol
SMILESCCCCC(CC)CC(O)c1ccccc1C
InChIInChI=1S/C16H26O/c1-4-6-10-14(5-2)12-16(17)15-11-8-7-9-13(15)3/h7-9,11,14,16-17H,4-6,10,12H2,1-3H3
InChIKeyYILXHCDDVWSBLW-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-(2-methylsulfanylphenyl)heptan-1-ol
CID 114981298
1-(3-bromo-2-methylphenyl)-3-ethylheptan-1-ol
CID 114981334
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
3-ethyl-1-quinoxalin-5-ylheptan-1-ol
CID 105080613
2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine
CID 81374760
1-(4-bromo-3,5-dimethylphenyl)-3-ethylheptan-1-ol
CID 114329962
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
3-ethyl-1-(2-fluorophenyl)pentan-1-ol
CID 82919842
3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol
CID 105066192
5-ethyl-N-methyl-1-(2-methylphenyl)nonan-3-amine
CID 105103019
[1-(2-bromophenyl)-3-ethylheptyl]hydrazine
CID 105208587
4-ethyl-2-(2-methylphenyl)octan-2-amine
CID 63408267

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylphenyl)heptan-1-ol?
The IUPAC name of 3-ethyl-1-(2-methylphenyl)heptan-1-ol (CID 63411121) is 3-ethyl-1-(2-methylphenyl)heptan-1-ol.
What is the SMILES notation for 3-ethyl-1-(2-methylphenyl)heptan-1-ol?
The canonical SMILES for 3-ethyl-1-(2-methylphenyl)heptan-1-ol is CCCCC(CC)CC(O)c1ccccc1C.
What is the InChIKey of 3-ethyl-1-(2-methylphenyl)heptan-1-ol?
The InChIKey is YILXHCDDVWSBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-4-6-10-14(5-2)12-16(17)15-11-8-7-9-13(15)3/h7-9,11,14,16-17H,4-6,10,12H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-methylphenyl)heptan-1-ol?
3-ethyl-1-(2-methylphenyl)heptan-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylphenyl)heptan-1-ol is sourced from PubChem (CID 63411121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).