5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol

C14H18O2 — CID 65456542

IUPAC5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESC=CC(C)Oc1cccc2c1CCCC2O
InChIInChI=1S/C14H18O2/c1-3-10(2)16-14-9-5-6-11-12(14)7-4-8-13(11)15/h3,5-6,9-10,13,15H,1,4,7-8H2,2H3
InChIKeyIBNGUORHKOKXHY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.01
Rot. Bonds3

About 5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol

5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 65456542) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID65456542
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESC=CC(C)Oc1cccc2c1CCCC2O
InChIInChI=1S/C14H18O2/c1-3-10(2)16-14-9-5-6-11-12(14)7-4-8-13(11)15/h3,5-6,9-10,13,15H,1,4,7-8H2,2H3
InChIKeyIBNGUORHKOKXHY-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile
CID 60730702
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide
CID 60665655
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]butanenitrile
CID 65453706
ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate
CID 83040077
5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65456544
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-propan-2-ylpropanamide
CID 55179521
5-[(5-methyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 103135185
5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65455408
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-pentan-2-ylacetamide
CID 60623659
5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile
CID 65454089
5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 106929819
(1R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129380109

Frequently Asked Questions

What is the IUPAC name of 5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol (CID 65456542) is 5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol is C=CC(C)Oc1cccc2c1CCCC2O.
What is the InChIKey of 5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is IBNGUORHKOKXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-10(2)16-14-9-5-6-11-12(14)7-4-8-13(11)15/h3,5-6,9-10,13,15H,1,4,7-8H2,2H3.
What are the key properties of 5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol?
5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 218.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 65456542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).