(2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one

C18H16O2 — CID 134962891

IUPAC(2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one
SMILESC=C[C@@H](c1ccccc1)[C@@]1(O)Cc2ccccc2C1=O
InChIInChI=1S/C18H16O2/c1-2-16(13-8-4-3-5-9-13)18(20)12-14-10-6-7-11-15(14)17(18)19/h2-11,16,20H,1,12H2/t16-,18-/m0/s1
InChIKeyVKFJQGKNJVBGHT-WMZOPIPTSA-N
MW264.32 g/mol
LogP3.13
Rot. Bonds3

About (2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one

(2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one (PubChem CID 134962891) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one
PubChem CID134962891
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one
SMILESC=C[C@@H](c1ccccc1)[C@@]1(O)Cc2ccccc2C1=O
InChIInChI=1S/C18H16O2/c1-2-16(13-8-4-3-5-9-13)18(20)12-14-10-6-7-11-15(14)17(18)19/h2-11,16,20H,1,12H2/t16-,18-/m0/s1
InChIKeyVKFJQGKNJVBGHT-WMZOPIPTSA-N
XLogP3.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.13
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-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one
CID 134962581
(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 100988945
2-(bromomethyl)-2-but-3-enyl-3H-inden-1-one
CID 25023064
(2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one
CID 6995220
3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione
CID 91344865
6'-hydroxy-1'-prop-2-enylspiro[3H-indene-2,3'-piperidine]-1,2'-dione
CID 134847830
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682
(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941
2,2-bis(trifluoromethyl)-3H-inden-1-one
CID 10015841
3-ethenyl-3-(4-methylpent-3-enyl)-4H-isochromen-1-one
CID 102417197
4-[(2S)-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalen-2-yl]butanoic acid
CID 155321803
(2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one
CID 90923684

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one?
The IUPAC name of (2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one (CID 134962891) is (2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one.
What is the SMILES notation for (2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one?
The canonical SMILES for (2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one is C=C[C@@H](c1ccccc1)[C@@]1(O)Cc2ccccc2C1=O.
What is the InChIKey of (2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one?
The InChIKey is VKFJQGKNJVBGHT-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H16O2/c1-2-16(13-8-4-3-5-9-13)18(20)12-14-10-6-7-11-15(14)17(18)19/h2-11,16,20H,1,12H2/t16-,18-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one?
(2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one has a molecular weight of 264.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-[(1S)-1-phenylprop-2-enyl]-3H-inden-1-one is sourced from PubChem (CID 134962891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).