(2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol

C17H18O3 — CID 25186922

IUPAC(2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol
SMILESCc1cc2c(c(C)c1O)O[C@H](c1ccc(O)cc1)CC2
InChIInChI=1S/C17H18O3/c1-10-9-13-5-8-15(12-3-6-14(18)7-4-12)20-17(13)11(2)16(10)19/h3-4,6-7,9,15,18-19H,5,8H2,1-2H3/t15-/m0/s1
InChIKeyKCZHOHKFLRXJSV-HNNXBMFYSA-N
MW270.33 g/mol
LogP3.78
Rot. Bonds1

About (2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol

(2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol (PubChem CID 25186922) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol
PubChem CID25186922
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol
SMILESCc1cc2c(c(C)c1O)O[C@H](c1ccc(O)cc1)CC2
InChIInChI=1S/C17H18O3/c1-10-9-13-5-8-15(12-3-6-14(18)7-4-12)20-17(13)11(2)16(10)19/h3-4,6-7,9,15,18-19H,5,8H2,1-2H3/t15-/m0/s1
InChIKeyKCZHOHKFLRXJSV-HNNXBMFYSA-N
XLogP3.78
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol (CID 25186922) is (2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol is Cc1cc2c(c(C)c1O)O[C@H](c1ccc(O)cc1)CC2.
What is the InChIKey of (2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is KCZHOHKFLRXJSV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18O3/c1-10-9-13-5-8-15(12-3-6-14(18)7-4-12)20-17(13)11(2)16(10)19/h3-4,6-7,9,15,18-19H,5,8H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol?
(2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 270.33 g/mol, XLogP of 3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 25186922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).