(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol

C18H24O2 — CID 78944606

IUPAC(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol
SMILESCCCCCCOc1c([C@H](C)O)ccc2ccccc12
InChIInChI=1S/C18H24O2/c1-3-4-5-8-13-20-18-16(14(2)19)12-11-15-9-6-7-10-17(15)18/h6-7,9-12,14,19H,3-5,8,13H2,1-2H3/t14-/m0/s1
InChIKeyFRIDTUMFMJEVGQ-AWEZNQCLSA-N
MW272.39 g/mol
LogP4.85
Rot. Bonds7

About (1S)-1-(1-hexoxynaphthalen-2-yl)ethanol

(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol (PubChem CID 78944606) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (1S)-1-(1-hexoxynaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol
PubChem CID78944606
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol
SMILESCCCCCCOc1c([C@H](C)O)ccc2ccccc12
InChIInChI=1S/C18H24O2/c1-3-4-5-8-13-20-18-16(14(2)19)12-11-15-9-6-7-10-17(15)18/h6-7,9-12,14,19H,3-5,8,13H2,1-2H3/t14-/m0/s1
InChIKeyFRIDTUMFMJEVGQ-AWEZNQCLSA-N
XLogP4.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol
CID 107007499
1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethanol
CID 43504354
(1R)-1-[1-(2-fluoroethoxy)naphthalen-2-yl]ethanol
CID 80694280
(1R)-1-[1-[2-(diethylamino)ethoxy]naphthalen-2-yl]ethanol
CID 78933650
(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol
CID 63365584
3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 63365385
1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol
CID 107892203
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol
CID 63365341
1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390
2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide
CID 63365508

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-hexoxynaphthalen-2-yl)ethanol?
The IUPAC name of (1S)-1-(1-hexoxynaphthalen-2-yl)ethanol (CID 78944606) is (1S)-1-(1-hexoxynaphthalen-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(1-hexoxynaphthalen-2-yl)ethanol?
The canonical SMILES for (1S)-1-(1-hexoxynaphthalen-2-yl)ethanol is CCCCCCOc1c([C@H](C)O)ccc2ccccc12.
What is the InChIKey of (1S)-1-(1-hexoxynaphthalen-2-yl)ethanol?
The InChIKey is FRIDTUMFMJEVGQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24O2/c1-3-4-5-8-13-20-18-16(14(2)19)12-11-15-9-6-7-10-17(15)18/h6-7,9-12,14,19H,3-5,8,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-(1-hexoxynaphthalen-2-yl)ethanol?
(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol has a molecular weight of 272.39 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-hexoxynaphthalen-2-yl)ethanol is sourced from PubChem (CID 78944606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).