(2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one

C19H18O2 — CID 139051151

IUPAC(2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one
SMILESC=C[C@H](c1ccccc1)[C@]1(O)CCc2ccccc2C1=O
InChIInChI=1S/C19H18O2/c1-2-17(15-9-4-3-5-10-15)19(21)13-12-14-8-6-7-11-16(14)18(19)20/h2-11,17,21H,1,12-13H2/t17-,19-/m1/s1
InChIKeyKKUUTNNHGCZIEB-IEBWSBKVSA-N
MW278.35 g/mol
LogP3.52
Rot. Bonds3

About (2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one

(2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one (PubChem CID 139051151) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one
PubChem CID139051151
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one
SMILESC=C[C@H](c1ccccc1)[C@]1(O)CCc2ccccc2C1=O
InChIInChI=1S/C19H18O2/c1-2-17(15-9-4-3-5-10-15)19(21)13-12-14-8-6-7-11-16(14)18(19)20/h2-11,17,21H,1,12-13H2/t17-,19-/m1/s1
InChIKeyKKUUTNNHGCZIEB-IEBWSBKVSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.52
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

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1-[(4bR,6aS,8S,10aS,10bS)-8-hydroxy-10a-methyl-5,6,6a,7,8,9,10,10b,11,12-decahydro-4bH-chrysen-2-yl]ethanone
CID 71814752
2-(2,6-Dimethylphenyl)-3-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)cyclopent-2-en-1-one
CID 118714500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one (CID 139051151) is (2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one is C=C[C@H](c1ccccc1)[C@]1(O)CCc2ccccc2C1=O.
What is the InChIKey of (2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one?
The InChIKey is KKUUTNNHGCZIEB-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H18O2/c1-2-17(15-9-4-3-5-10-15)19(21)13-12-14-8-6-7-11-16(14)18(19)20/h2-11,17,21H,1,12-13H2/t17-,19-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one?
(2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one has a molecular weight of 278.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 139051151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).