(2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol

C16H19ClO — CID 162412283

IUPAC(2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol
SMILESCCC[C@@H](O)[C@H](CCl)c1ccc2ccccc2c1
InChIInChI=1S/C16H19ClO/c1-2-5-16(18)15(11-17)14-9-8-12-6-3-4-7-13(12)10-14/h3-4,6-10,15-16,18H,2,5,11H2,1H3/t15-,16-/m1/s1
InChIKeyYKMUUMWINZLPOF-HZPDHXFCSA-N
MW262.78 g/mol
LogP4.32
Rot. Bonds5

About (2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol

(2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol (PubChem CID 162412283) has the molecular formula C16H19ClO and a molecular weight of 262.78 g/mol. Its IUPAC name is (2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol.

Molecular Properties

Compound Name(2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol
PubChem CID162412283
Molecular FormulaC16H19ClO
Molecular Weight262.78 g/mol
Exact Mass262.11
IUPAC Name(2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol
SMILESCCC[C@@H](O)[C@H](CCl)c1ccc2ccccc2c1
InChIInChI=1S/C16H19ClO/c1-2-5-16(18)15(11-17)14-9-8-12-6-3-4-7-13(12)10-14/h3-4,6-10,15-16,18H,2,5,11H2,1H3/t15-,16-/m1/s1
InChIKeyYKMUUMWINZLPOF-HZPDHXFCSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(methylamino)-2-naphthalen-2-ylheptan-3-ol
CID 70875702
2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene
CID 153192882
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-naphthalen-2-ylpentan-1-ol
CID 158603374
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol
CID 60970944
N-ethyl-1-naphthalen-2-ylbutan-1-amine
CID 62716918
1-naphthalen-2-ylbutylhydrazine
CID 105202092
(1R)-2,2-diethoxy-1-naphthalen-2-ylethanol
CID 102400657
naphthalen-2-ylmethanediol
CID 22496827
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol?
The IUPAC name of (2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol (CID 162412283) is (2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol.
What is the SMILES notation for (2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol?
The canonical SMILES for (2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol is CCC[C@@H](O)[C@H](CCl)c1ccc2ccccc2c1.
What is the InChIKey of (2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol?
The InChIKey is YKMUUMWINZLPOF-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H19ClO/c1-2-5-16(18)15(11-17)14-9-8-12-6-3-4-7-13(12)10-14/h3-4,6-10,15-16,18H,2,5,11H2,1H3/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol?
(2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol has a molecular weight of 262.78 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-chloro-2-naphthalen-2-ylhexan-3-ol is sourced from PubChem (CID 162412283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).