1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol

C20H24O5 — CID 10947920

IUPAC1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(O)Cc1c(O)ccc2c1OC(c1ccc(O)cc1)CC2
InChIInChI=1S/C20H24O5/c1-20(2,24)18(23)11-15-16(22)9-5-13-6-10-17(25-19(13)15)12-3-7-14(21)8-4-12/h3-5,7-9,17-18,21-24H,6,10-11H2,1-2H3
InChIKeyVONCSVFGZKPGPL-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.84
Rot. Bonds4

About 1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol

1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol (PubChem CID 10947920) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol.

Molecular Properties

Compound Name1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol
PubChem CID10947920
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(O)Cc1c(O)ccc2c1OC(c1ccc(O)cc1)CC2
InChIInChI=1S/C20H24O5/c1-20(2,24)18(23)11-15-16(22)9-5-13-6-10-17(25-19(13)15)12-3-7-14(21)8-4-12/h3-5,7-9,17-18,21-24H,6,10-11H2,1-2H3
InChIKeyVONCSVFGZKPGPL-UHFFFAOYSA-N
XLogP2.84
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol?
The IUPAC name of 1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol (CID 10947920) is 1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol.
What is the SMILES notation for 1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol?
The canonical SMILES for 1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol is CC(C)(O)C(O)Cc1c(O)ccc2c1OC(c1ccc(O)cc1)CC2.
What is the InChIKey of 1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol?
The InChIKey is VONCSVFGZKPGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-20(2,24)18(23)11-15-16(22)9-5-13-6-10-17(25-19(13)15)12-3-7-14(21)8-4-12/h3-5,7-9,17-18,21-24H,6,10-11H2,1-2H3.
What are the key properties of 1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol?
1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol has a molecular weight of 344.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol is sourced from PubChem (CID 10947920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).