4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol

C30H26O4 — CID 162934791

IUPAC4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol
SMILESCC1(C)C=C(c2c3c(c4ccccc4c2O)OC(C)(C)C=C3)c2cc(O)c3ccccc3c2O1
InChIInChI=1S/C30H26O4/c1-29(2)14-13-21-25(26(32)18-10-6-8-12-20(18)27(21)33-29)23-16-30(3,4)34-28-19-11-7-5-9-17(19)24(31)15-22(23)28/h5-16,31-32H,1-4H3
InChIKeyDLECUGZDAABHEM-UHFFFAOYSA-N
MW450.53 g/mol
LogP7.19
Rot. Bonds1

About 4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol

4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol (PubChem CID 162934791) has the molecular formula C30H26O4 and a molecular weight of 450.53 g/mol. Its IUPAC name is 4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol.

Molecular Properties

Compound Name4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol
PubChem CID162934791
Molecular FormulaC30H26O4
Molecular Weight450.53 g/mol
Exact Mass450.18
IUPAC Name4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol
SMILESCC1(C)C=C(c2c3c(c4ccccc4c2O)OC(C)(C)C=C3)c2cc(O)c3ccccc3c2O1
InChIInChI=1S/C30H26O4/c1-29(2)14-13-21-25(26(32)18-10-6-8-12-20(18)27(21)33-29)23-16-30(3,4)34-28-19-11-7-5-9-17(19)24(31)15-22(23)28/h5-16,31-32H,1-4H3
InChIKeyDLECUGZDAABHEM-UHFFFAOYSA-N
XLogP7.19
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol?
The IUPAC name of 4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol (CID 162934791) is 4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol.
What is the SMILES notation for 4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol?
The canonical SMILES for 4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol is CC1(C)C=C(c2c3c(c4ccccc4c2O)OC(C)(C)C=C3)c2cc(O)c3ccccc3c2O1.
What is the InChIKey of 4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol?
The InChIKey is DLECUGZDAABHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O4/c1-29(2)14-13-21-25(26(32)18-10-6-8-12-20(18)27(21)33-29)23-16-30(3,4)34-28-19-11-7-5-9-17(19)24(31)15-22(23)28/h5-16,31-32H,1-4H3.
What are the key properties of 4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol?
4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol has a molecular weight of 450.53 g/mol, XLogP of 7.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol is sourced from PubChem (CID 162934791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).