(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol

C15H16O — CID 102066780

IUPAC(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
SMILESC=C(C)C[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C15H16O/c1-11(2)10-15(16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15-16H,1,10H2,2H3/t15-/m1/s1
InChIKeyQOOZZKWPGFVXGO-OAHLLOKOSA-N
MW212.29 g/mol
LogP3.84
Rot. Bonds3

About (1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol

(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol (PubChem CID 102066780) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
PubChem CID102066780
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
SMILESC=C(C)C[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C15H16O/c1-11(2)10-15(16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15-16H,1,10H2,2H3/t15-/m1/s1
InChIKeyQOOZZKWPGFVXGO-OAHLLOKOSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
(2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium
CID 91999379
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
3-methyl-2-naphthalen-1-ylbut-3-en-1-ol
CID 10632339
(1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol
CID 71614600
3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one
CID 54562084
1-(2-ethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115533471
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol
CID 67658257
N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine
CID 114474538

Frequently Asked Questions

What is the IUPAC name of (1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol?
The IUPAC name of (1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol (CID 102066780) is (1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol.
What is the SMILES notation for (1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol?
The canonical SMILES for (1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol is C=C(C)C[C@@H](O)c1cccc2ccccc12.
What is the InChIKey of (1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol?
The InChIKey is QOOZZKWPGFVXGO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16O/c1-11(2)10-15(16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15-16H,1,10H2,2H3/t15-/m1/s1.
What are the key properties of (1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol?
(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol has a molecular weight of 212.29 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol is sourced from PubChem (CID 102066780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).