(1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol

C19H24O2 — CID 107007499

IUPAC(1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol
SMILESC=CCCCCCOc1c([C@H](C)O)ccc2ccccc12
InChIInChI=1S/C19H24O2/c1-3-4-5-6-9-14-21-19-17(15(2)20)13-12-16-10-7-8-11-18(16)19/h3,7-8,10-13,15,20H,1,4-6,9,14H2,2H3/t15-/m0/s1
InChIKeyJTUFMGHDMPGKFE-HNNXBMFYSA-N
MW284.40 g/mol
LogP5.02
Rot. Bonds8

About (1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol

(1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol (PubChem CID 107007499) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol
PubChem CID107007499
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol
SMILESC=CCCCCCOc1c([C@H](C)O)ccc2ccccc12
InChIInChI=1S/C19H24O2/c1-3-4-5-6-9-14-21-19-17(15(2)20)13-12-16-10-7-8-11-18(16)19/h3,7-8,10-13,15,20H,1,4-6,9,14H2,2H3/t15-/m0/s1
InChIKeyJTUFMGHDMPGKFE-HNNXBMFYSA-N
XLogP5.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol
CID 78944606
1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethanol
CID 43504354
(1R)-1-[1-(2-fluoroethoxy)naphthalen-2-yl]ethanol
CID 80694280
(1R)-1-(1-but-3-enoxynaphthalen-2-yl)ethanamine
CID 78967478
(1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol
CID 79014754
(1R)-1-[1-[2-(diethylamino)ethoxy]naphthalen-2-yl]ethanol
CID 78933650
3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 63365385
(1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol
CID 106438840
(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol
CID 63365584
(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol
CID 63365341
1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390
2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide
CID 43504387

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol?
The IUPAC name of (1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol (CID 107007499) is (1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol?
The canonical SMILES for (1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol is C=CCCCCCOc1c([C@H](C)O)ccc2ccccc12.
What is the InChIKey of (1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol?
The InChIKey is JTUFMGHDMPGKFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24O2/c1-3-4-5-6-9-14-21-19-17(15(2)20)13-12-16-10-7-8-11-18(16)19/h3,7-8,10-13,15,20H,1,4-6,9,14H2,2H3/t15-/m0/s1.
What are the key properties of (1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol?
(1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol has a molecular weight of 284.40 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol is sourced from PubChem (CID 107007499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).