(1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol

C16H14O — CID 71614600

IUPAC(1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol
SMILESC=C(C)C#C[C@H](O)c1cccc2ccccc12
InChIInChI=1S/C16H14O/c1-12(2)10-11-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-17H,1H2,2H3/t16-/m0/s1
InChIKeyWIXHKTQLMDMHFV-INIZCTEOSA-N
MW222.29 g/mol
LogP3.45
Rot. Bonds1

About (1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol

(1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol (PubChem CID 71614600) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is (1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol
PubChem CID71614600
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name(1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol
SMILESC=C(C)C#C[C@H](O)c1cccc2ccccc12
InChIInChI=1S/C16H14O/c1-12(2)10-11-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-17H,1H2,2H3/t16-/m0/s1
InChIKeyWIXHKTQLMDMHFV-INIZCTEOSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 102066780
1-naphthalen-1-ylprop-2-yn-1-ol
CID 12661155
4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol
CID 101268197
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol
CID 101184195
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
1-naphthalen-1-ylundeca-2,4-diyne-1,6-diol
CID 142726642
3-methyl-2-naphthalen-1-ylbut-3-en-1-ol
CID 10632339
1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one
CID 164951391
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 85312349
N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine
CID 114474538

Frequently Asked Questions

What is the IUPAC name of (1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol?
The IUPAC name of (1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol (CID 71614600) is (1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol.
What is the SMILES notation for (1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol?
The canonical SMILES for (1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol is C=C(C)C#C[C@H](O)c1cccc2ccccc12.
What is the InChIKey of (1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol?
The InChIKey is WIXHKTQLMDMHFV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14O/c1-12(2)10-11-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-17H,1H2,2H3/t16-/m0/s1.
What are the key properties of (1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol?
(1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol has a molecular weight of 222.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol is sourced from PubChem (CID 71614600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).