(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol

C16H16O3 — CID 79014406

IUPAC(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CCOc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C16H16O3/c17-15-8-9-18-16-7-6-13(10-14(15)16)19-11-12-4-2-1-3-5-12/h1-7,10,15,17H,8-9,11H2/t15-/m0/s1
InChIKeyTUUBEMGTMDQEAF-HNNXBMFYSA-N
MW256.30 g/mol
LogP3.08
Rot. Bonds3

About (4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol

(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 79014406) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID79014406
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CCOc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C16H16O3/c17-15-8-9-18-16-7-6-13(10-14(15)16)19-11-12-4-2-1-3-5-12/h1-7,10,15,17H,8-9,11H2/t15-/m0/s1
InChIKeyTUUBEMGTMDQEAF-HNNXBMFYSA-N
XLogP3.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 11948118
[(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate
CID 69379697
4-amino-6-phenylmethoxy-3,4-dihydro-2H-chromen-8-ol
CID 130044406
(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544352
6-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-4-ol
CID 67687802
3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
CID 19991535
(4R)-4-(2-hydroxy-4-phenylmethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185405
6-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410362
7-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 166633236
2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 91665585
6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408
(4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol
CID 58909283

Frequently Asked Questions

What is the IUPAC name of (4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol (CID 79014406) is (4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CCOc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of (4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is TUUBEMGTMDQEAF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16O3/c17-15-8-9-18-16-7-6-13(10-14(15)16)19-11-12-4-2-1-3-5-12/h1-7,10,15,17H,8-9,11H2/t15-/m0/s1.
What are the key properties of (4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol?
(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 256.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 79014406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).