2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol

C17H22O2 — CID 116712227

IUPAC2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol
SMILESCCOC(C(C)C)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H22O2/c1-4-19-17(12(2)3)16(18)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16-18H,4H2,1-3H3
InChIKeyTZBOZWRDWXWASB-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.93
Rot. Bonds5

About 2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol

2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol (PubChem CID 116712227) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol
PubChem CID116712227
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol
SMILESCCOC(C(C)C)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H22O2/c1-4-19-17(12(2)3)16(18)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16-18H,4H2,1-3H3
InChIKeyTZBOZWRDWXWASB-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2-diethoxy-1-naphthalen-2-ylethanol
CID 102400657
2-(4-ethoxypentan-2-yl)naphthalene
CID 129253076
2-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 64541977
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 107288624
(1R,2S)-1-naphthalen-2-yl-2-nitropropan-1-ol
CID 101234159
2-ethoxy-2-naphthalen-2-ylethanamine
CID 53276132
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
triethoxy(1-naphthalen-2-ylethyl)silane
CID 18795115
4-bromo-1-naphthalen-2-ylbutane-1,2-diol
CID 171892195
(2R)-2-ethoxy-N-methyl-2-naphthalen-2-ylethanamine
CID 95001736
(2R)-3-methyl-2-naphthalen-2-ylbutan-1-amine
CID 121454680

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol?
The IUPAC name of 2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol (CID 116712227) is 2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol.
What is the SMILES notation for 2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol?
The canonical SMILES for 2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol is CCOC(C(C)C)C(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol?
The InChIKey is TZBOZWRDWXWASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-4-19-17(12(2)3)16(18)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16-18H,4H2,1-3H3.
What are the key properties of 2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol?
2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol is sourced from PubChem (CID 116712227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).