(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one

C13H14O2 — CID 100988945

IUPAC(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
SMILESC=CC[C@]1(O)CCc2ccccc2C1=O
InChIInChI=1S/C13H14O2/c1-2-8-13(15)9-7-10-5-3-4-6-11(10)12(13)14/h2-6,15H,1,7-9H2/t13-/m0/s1
InChIKeyWCIGURCXSXMKBC-ZDUSSCGKSA-N
MW202.25 g/mol
LogP2.12
Rot. Bonds2

About (2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one

(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one (PubChem CID 100988945) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
PubChem CID100988945
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
SMILESC=CC[C@]1(O)CCc2ccccc2C1=O
InChIInChI=1S/C13H14O2/c1-2-8-13(15)9-7-10-5-3-4-6-11(10)12(13)14/h2-6,15H,1,7-9H2/t13-/m0/s1
InChIKeyWCIGURCXSXMKBC-ZDUSSCGKSA-N
XLogP2.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.12
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

(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682
4-[(2S)-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalen-2-yl]butanoic acid
CID 155321803
2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 162736648
(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941
(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 100988172
2-hydroxy-2-[(E)-2-methylpent-3-en-2-yl]-3,4-dihydronaphthalen-1-one
CID 10966763
2-(hydroxymethyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 11344499
3-methylidene-1-prop-2-enyl-2H-inden-1-ol
CID 86041926
6-acetyl-6-hydroxy-8,9-dihydrobenzo[7]annulene-5,7-dione
CID 59771919
(2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one
CID 134962891
(2S)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one
CID 134962581
2-(carboxymethyl)-1-oxo-3,4-dihydronaphthalene-2-carboxylic acid
CID 10634266

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one (CID 100988945) is (2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one is C=CC[C@]1(O)CCc2ccccc2C1=O.
What is the InChIKey of (2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one?
The InChIKey is WCIGURCXSXMKBC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-8-13(15)9-7-10-5-3-4-6-11(10)12(13)14/h2-6,15H,1,7-9H2/t13-/m0/s1.
What are the key properties of (2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one?
(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 100988945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).