2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one

C16H20O2 — CID 10966763

IUPAC2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one
SMILESC/C=C/C(C)(C)C1(O)CCc2ccccc2C1=O
InChIInChI=1S/C16H20O2/c1-4-10-15(2,3)16(18)11-9-12-7-5-6-8-13(12)14(16)17/h4-8,10,18H,9,11H2,1-3H3/b10-4+
InChIKeyZUPYFQBFDBLHON-ONNFQVAWSA-N
MW244.33 g/mol
LogP3.15
Rot. Bonds2

About 2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one

2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one (PubChem CID 10966763) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one
PubChem CID10966763
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one
SMILESC/C=C/C(C)(C)C1(O)CCc2ccccc2C1=O
InChIInChI=1S/C16H20O2/c1-4-10-15(2,3)16(18)11-9-12-7-5-6-8-13(12)14(16)17/h4-8,10,18H,9,11H2,1-3H3/b10-4+
InChIKeyZUPYFQBFDBLHON-ONNFQVAWSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.15
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

(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941
(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 100988945
6-acetyl-6-hydroxy-8,9-dihydrobenzo[7]annulene-5,7-dione
CID 59771919
2-(hydroxymethyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 11344499
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682
tert-butyl (2S)-2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 134843164
tert-butyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 122381323
propan-2-yl (2S)-2-hydroxy-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 162401307
2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one
CID 14591548
1'-methylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
CID 10263215
(2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one
CID 10774110
methyl 2-bromo-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 101369377

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one (CID 10966763) is 2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one is C/C=C/C(C)(C)C1(O)CCc2ccccc2C1=O.
What is the InChIKey of 2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one?
The InChIKey is ZUPYFQBFDBLHON-ONNFQVAWSA-N. The full InChI is InChI=1S/C16H20O2/c1-4-10-15(2,3)16(18)11-9-12-7-5-6-8-13(12)14(16)17/h4-8,10,18H,9,11H2,1-3H3/b10-4+.
What are the key properties of 2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one?
2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 10966763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).