5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol

C17H26O2 — CID 83931813

IUPAC5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol
SMILESCCC(CC(O)C(C)O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H26O2/c1-3-13(11-17(19)12(2)18)16-9-8-14-6-4-5-7-15(14)10-16/h8-10,12-13,17-19H,3-7,11H2,1-2H3
InChIKeyUWJIBWIIQKYSOD-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.19
Rot. Bonds5

About 5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol

5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol (PubChem CID 83931813) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol
PubChem CID83931813
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol
SMILESCCC(CC(O)C(C)O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H26O2/c1-3-13(11-17(19)12(2)18)16-9-8-14-6-4-5-7-15(14)10-16/h8-10,12-13,17-19H,3-7,11H2,1-2H3
InChIKeyUWJIBWIIQKYSOD-UHFFFAOYSA-N
XLogP3.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene
CID 83931784
3-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 115720493
1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383
(3R)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)octan-3-ol
CID 100938852
2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane
CID 83931797
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 82312888
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride
CID 3029491
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid
CID 83931825
1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole
CID 112718565
3-[4-(3-ethylphenyl)hexan-2-yl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 171601669
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676

Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol?
The IUPAC name of 5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol (CID 83931813) is 5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol.
What is the SMILES notation for 5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol?
The canonical SMILES for 5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol is CCC(CC(O)C(C)O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol?
The InChIKey is UWJIBWIIQKYSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-13(11-17(19)12(2)18)16-9-8-14-6-4-5-7-15(14)10-16/h8-10,12-13,17-19H,3-7,11H2,1-2H3.
What are the key properties of 5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol?
5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol has a molecular weight of 262.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol is sourced from PubChem (CID 83931813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).