(1R)-2,2-diethoxy-1-naphthalen-2-ylethanol

C16H20O3 — CID 102400657

IUPAC(1R)-2,2-diethoxy-1-naphthalen-2-ylethanol
SMILESCCOC(OCC)[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20O3/c1-3-18-16(19-4-2)15(17)14-10-9-12-7-5-6-8-13(12)11-14/h5-11,15-17H,3-4H2,1-2H3/t15-/m1/s1
InChIKeyYWHXQQIIGMGWSU-OAHLLOKOSA-N
MW260.33 g/mol
LogP3.27
Rot. Bonds6

About (1R)-2,2-diethoxy-1-naphthalen-2-ylethanol

(1R)-2,2-diethoxy-1-naphthalen-2-ylethanol (PubChem CID 102400657) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (1R)-2,2-diethoxy-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name(1R)-2,2-diethoxy-1-naphthalen-2-ylethanol
PubChem CID102400657
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(1R)-2,2-diethoxy-1-naphthalen-2-ylethanol
SMILESCCOC(OCC)[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20O3/c1-3-18-16(19-4-2)15(17)14-10-9-12-7-5-6-8-13(12)11-14/h5-11,15-17H,3-4H2,1-2H3/t15-/m1/s1
InChIKeyYWHXQQIIGMGWSU-OAHLLOKOSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 116712227
2,2-diethoxy-1-quinolin-7-ylethanol
CID 81220002
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
2-ethoxy-2-naphthalen-2-ylethanamine
CID 53276132
2-(4-ethoxypentan-2-yl)naphthalene
CID 129253076
2-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 64541977
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
(2R)-2-ethoxy-N-methyl-2-naphthalen-2-ylethanamine
CID 95001736
(1R,2S)-1-naphthalen-2-yl-2-nitropropan-1-ol
CID 101234159
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol
CID 100944960

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-diethoxy-1-naphthalen-2-ylethanol?
The IUPAC name of (1R)-2,2-diethoxy-1-naphthalen-2-ylethanol (CID 102400657) is (1R)-2,2-diethoxy-1-naphthalen-2-ylethanol.
What is the SMILES notation for (1R)-2,2-diethoxy-1-naphthalen-2-ylethanol?
The canonical SMILES for (1R)-2,2-diethoxy-1-naphthalen-2-ylethanol is CCOC(OCC)[C@H](O)c1ccc2ccccc2c1.
What is the InChIKey of (1R)-2,2-diethoxy-1-naphthalen-2-ylethanol?
The InChIKey is YWHXQQIIGMGWSU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20O3/c1-3-18-16(19-4-2)15(17)14-10-9-12-7-5-6-8-13(12)11-14/h5-11,15-17H,3-4H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-2,2-diethoxy-1-naphthalen-2-ylethanol?
(1R)-2,2-diethoxy-1-naphthalen-2-ylethanol has a molecular weight of 260.33 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-diethoxy-1-naphthalen-2-ylethanol is sourced from PubChem (CID 102400657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).