1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol

C23H40O2 — CID 130397650

IUPAC1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol
SMILESCCCCC(CC)COCC(O)CC(CC(C)CC)c1ccccc1
InChIInChI=1S/C23H40O2/c1-5-8-12-20(7-3)17-25-18-23(24)16-22(15-19(4)6-2)21-13-10-9-11-14-21/h9-11,13-14,19-20,22-24H,5-8,12,15-18H2,1-4H3
InChIKeyHWBOLKWEUGRQQJ-UHFFFAOYSA-N
MW348.57 g/mol
LogP6.19
Rot. Bonds14

About 1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol

1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol (PubChem CID 130397650) has the molecular formula C23H40O2 and a molecular weight of 348.57 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol
PubChem CID130397650
Molecular FormulaC23H40O2
Molecular Weight348.57 g/mol
Exact Mass348.30
IUPAC Name1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol
SMILESCCCCC(CC)COCC(O)CC(CC(C)CC)c1ccccc1
InChIInChI=1S/C23H40O2/c1-5-8-12-20(7-3)17-25-18-23(24)16-22(15-19(4)6-2)21-13-10-9-11-14-21/h9-11,13-14,19-20,22-24H,5-8,12,15-18H2,1-4H3
InChIKeyHWBOLKWEUGRQQJ-UHFFFAOYSA-N
XLogP6.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 88753128
CID 88753128
5-methyl-3-phenylnonan-1-ol
CID 145204156
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
5-ethyl-3-phenylnonan-1-ol
CID 145204155
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
CID 29000840
heptan-3-ylbenzene;methane
CID 159006232
ethane;methane;5-methylheptan-3-ylbenzene
CID 168921698
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol
CID 87069112
1-(2-phenyltridecoxy)tridecan-2-ylbenzene
CID 175374761
ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol
CID 170602401

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol?
The IUPAC name of 1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol (CID 130397650) is 1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol.
What is the SMILES notation for 1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol?
The canonical SMILES for 1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol is CCCCC(CC)COCC(O)CC(CC(C)CC)c1ccccc1.
What is the InChIKey of 1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol?
The InChIKey is HWBOLKWEUGRQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O2/c1-5-8-12-20(7-3)17-25-18-23(24)16-22(15-19(4)6-2)21-13-10-9-11-14-21/h9-11,13-14,19-20,22-24H,5-8,12,15-18H2,1-4H3.
What are the key properties of 1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol?
1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol has a molecular weight of 348.57 g/mol, XLogP of 6.19, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-6-methyl-4-phenyloctan-2-ol is sourced from PubChem (CID 130397650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).