5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol

C16H24O2 — CID 114851831

IUPAC5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol
SMILESCOCCCC(C)(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H24O2/c1-16(17,10-5-11-18-2)15-9-8-13-6-3-4-7-14(13)12-15/h8-9,12,17H,3-7,10-11H2,1-2H3
InChIKeyVJOZGOYJSMSJRX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.20
Rot. Bonds5

About 5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol

5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol (PubChem CID 114851831) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol
PubChem CID114851831
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol
SMILESCOCCCC(C)(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H24O2/c1-16(17,10-5-11-18-2)15-9-8-13-6-3-4-7-14(13)12-15/h8-9,12,17H,3-7,10-11H2,1-2H3
InChIKeyVJOZGOYJSMSJRX-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.20
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

6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol
CID 115515280
2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol
CID 114194197
N-[(2R)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 101124562
N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 10999367
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 103784307
2-(4-ethylphenyl)-4-methoxybutan-2-ol
CID 62543730
3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol
CID 106811489
1-(4-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 63406681
1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 104514467
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,2-diamine
CID 3052971
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol?
The IUPAC name of 5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol (CID 114851831) is 5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol.
What is the SMILES notation for 5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol?
The canonical SMILES for 5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol is COCCCC(C)(O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol?
The InChIKey is VJOZGOYJSMSJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-16(17,10-5-11-18-2)15-9-8-13-6-3-4-7-14(13)12-15/h8-9,12,17H,3-7,10-11H2,1-2H3.
What are the key properties of 5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol?
5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol is sourced from PubChem (CID 114851831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).