(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol

C19H16O2 — CID 134948340

IUPAC(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1C[C@@H](c2cccc3ccccc23)Oc2ccccc21
InChIInChI=1S/C19H16O2/c20-17-12-19(21-18-11-4-3-9-16(17)18)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,17,19-20H,12H2/t17-,19-/m0/s1
InChIKeyNEDQQFDWQBRLIG-HKUYNNGSSA-N
MW276.34 g/mol
LogP4.40
Rot. Bonds1

About (2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol

(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 134948340) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID134948340
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1C[C@@H](c2cccc3ccccc23)Oc2ccccc21
InChIInChI=1S/C19H16O2/c20-17-12-19(21-18-11-4-3-9-16(17)18)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,17,19-20H,12H2/t17-,19-/m0/s1
InChIKeyNEDQQFDWQBRLIG-HKUYNNGSSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol (CID 134948340) is (2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol is O[C@H]1C[C@@H](c2cccc3ccccc23)Oc2ccccc21.
What is the InChIKey of (2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is NEDQQFDWQBRLIG-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H16O2/c20-17-12-19(21-18-11-4-3-9-16(17)18)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,17,19-20H,12H2/t17-,19-/m0/s1.
What are the key properties of (2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol?
(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 276.34 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 134948340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).