3-ethyl-7-methyl-3-phenyloctan-4-ol

C17H28O — CID 63414576

IUPAC3-ethyl-7-methyl-3-phenyloctan-4-ol
SMILESCCC(CC)(c1ccccc1)C(O)CCC(C)C
InChIInChI=1S/C17H28O/c1-5-17(6-2,15-10-8-7-9-11-15)16(18)13-12-14(3)4/h7-11,14,16,18H,5-6,12-13H2,1-4H3
InChIKeyBSRGJVXCLGQJAL-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.54
Rot. Bonds7

About 3-ethyl-7-methyl-3-phenyloctan-4-ol

3-ethyl-7-methyl-3-phenyloctan-4-ol (PubChem CID 63414576) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-ethyl-7-methyl-3-phenyloctan-4-ol.

Molecular Properties

Compound Name3-ethyl-7-methyl-3-phenyloctan-4-ol
PubChem CID63414576
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name3-ethyl-7-methyl-3-phenyloctan-4-ol
SMILESCCC(CC)(c1ccccc1)C(O)CCC(C)C
InChIInChI=1S/C17H28O/c1-5-17(6-2,15-10-8-7-9-11-15)16(18)13-12-14(3)4/h7-11,14,16,18H,5-6,12-13H2,1-4H3
InChIKeyBSRGJVXCLGQJAL-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-diethyl-7-methyl-3-phenyloctan-4-amine
CID 63417594
4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol
CID 63773505
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol
CID 63083411
2-ethyl-1-(2-methylphenyl)-2-phenylbutan-1-ol
CID 63414226
5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
CID 64564957
2,3,6-trimethylheptan-2-ylbenzene
CID 20588991
3-ethyl-3-phenyltricosan-4-amine
CID 21316172
3-ethyl-5-methyl-3-phenylheptan-4-amine
CID 79446709
2-ethyl-6-methyl-2-phenylheptanoic acid
CID 83158043
4-amino-3-ethyl-3-phenylhexanoic acid
CID 66096689
1-ethoxy-4-ethyl-4-phenylhexan-3-amine
CID 114992855

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-3-phenyloctan-4-ol?
The IUPAC name of 3-ethyl-7-methyl-3-phenyloctan-4-ol (CID 63414576) is 3-ethyl-7-methyl-3-phenyloctan-4-ol.
What is the SMILES notation for 3-ethyl-7-methyl-3-phenyloctan-4-ol?
The canonical SMILES for 3-ethyl-7-methyl-3-phenyloctan-4-ol is CCC(CC)(c1ccccc1)C(O)CCC(C)C.
What is the InChIKey of 3-ethyl-7-methyl-3-phenyloctan-4-ol?
The InChIKey is BSRGJVXCLGQJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-5-17(6-2,15-10-8-7-9-11-15)16(18)13-12-14(3)4/h7-11,14,16,18H,5-6,12-13H2,1-4H3.
What are the key properties of 3-ethyl-7-methyl-3-phenyloctan-4-ol?
3-ethyl-7-methyl-3-phenyloctan-4-ol has a molecular weight of 248.41 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-3-phenyloctan-4-ol is sourced from PubChem (CID 63414576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).