[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone

C16H14O3 — CID 140603866

IUPAC[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1COc2ccccc2[C@H]1O
InChIInChI=1S/C16H14O3/c17-15(11-6-2-1-3-7-11)13-10-19-14-9-5-4-8-12(14)16(13)18/h1-9,13,16,18H,10H2/t13?,16-/m1/s1
InChIKeySPNKIGFNQIURAP-FQNRMIAFSA-N
MW254.29 g/mol
LogP2.61
Rot. Bonds2

About [(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone

[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone (PubChem CID 140603866) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is [(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone
PubChem CID140603866
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1COc2ccccc2[C@H]1O
InChIInChI=1S/C16H14O3/c17-15(11-6-2-1-3-7-11)13-10-19-14-9-5-4-8-12(14)16(13)18/h1-9,13,16,18H,10H2/t13?,16-/m1/s1
InChIKeySPNKIGFNQIURAP-FQNRMIAFSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone
CID 70649024
6-chloro-9-[(2R)-thiolan-2-yl]purine;(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-phenylmethanone
CID 158098729
(3S,4R)-3-benzoyl-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 45102125
2,3-dihydro-1-benzofuran-3-ol
CID 585896
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
[(1R,3aS,9bS)-3-methyl-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrol-1-yl]-(4-chlorophenyl)methanone
CID 50925442
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone
CID 116543458
oxiran-2-yl(phenyl)methanone
CID 11788375
3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol
CID 106585002
1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
CID 82186504

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone?
The IUPAC name of [(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone (CID 140603866) is [(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone.
What is the SMILES notation for [(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone?
The canonical SMILES for [(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone is O=C(c1ccccc1)C1COc2ccccc2[C@H]1O.
What is the InChIKey of [(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone?
The InChIKey is SPNKIGFNQIURAP-FQNRMIAFSA-N. The full InChI is InChI=1S/C16H14O3/c17-15(11-6-2-1-3-7-11)13-10-19-14-9-5-4-8-12(14)16(13)18/h1-9,13,16,18H,10H2/t13?,16-/m1/s1.
What are the key properties of [(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone?
[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone has a molecular weight of 254.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone is sourced from PubChem (CID 140603866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).