4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol

C18H18Cl2O4 — CID 3531736

IUPAC4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol
SMILESCC1(C)CC(C)(c2cc(Cl)c(O)cc2O)Oc2cc(O)c(Cl)cc21
InChIInChI=1S/C18H18Cl2O4/c1-17(2)8-18(3,9-4-11(19)14(22)6-13(9)21)24-16-7-15(23)12(20)5-10(16)17/h4-7,21-23H,8H2,1-3H3
InChIKeyVSHLILKLIDPGCI-UHFFFAOYSA-N
MW369.24 g/mol
LogP5.09
Rot. Bonds1

About 4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol

4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol (PubChem CID 3531736) has the molecular formula C18H18Cl2O4 and a molecular weight of 369.24 g/mol. Its IUPAC name is 4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol
PubChem CID3531736
Molecular FormulaC18H18Cl2O4
Molecular Weight369.24 g/mol
Exact Mass368.06
IUPAC Name4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol
SMILESCC1(C)CC(C)(c2cc(Cl)c(O)cc2O)Oc2cc(O)c(Cl)cc21
InChIInChI=1S/C18H18Cl2O4/c1-17(2)8-18(3,9-4-11(19)14(22)6-13(9)21)24-16-7-15(23)12(20)5-10(16)17/h4-7,21-23H,8H2,1-3H3
InChIKeyVSHLILKLIDPGCI-UHFFFAOYSA-N
XLogP5.09
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.24
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol?
The IUPAC name of 4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol (CID 3531736) is 4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol is CC1(C)CC(C)(c2cc(Cl)c(O)cc2O)Oc2cc(O)c(Cl)cc21.
What is the InChIKey of 4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol?
The InChIKey is VSHLILKLIDPGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O4/c1-17(2)8-18(3,9-4-11(19)14(22)6-13(9)21)24-16-7-15(23)12(20)5-10(16)17/h4-7,21-23H,8H2,1-3H3.
What are the key properties of 4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol?
4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol has a molecular weight of 369.24 g/mol, XLogP of 5.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(6-chloro-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol is sourced from PubChem (CID 3531736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).