7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol

C24H30O6 — CID 162093098

IUPAC7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol
SMILESCOc1cc2c(cc1O)C(C)(C)CC1(CC(C)(C)c3c(cc(CO)c(O)c3C)O1)O2
InChIInChI=1S/C24H30O6/c1-13-20-19(7-14(10-25)21(13)27)30-24(12-23(20,4)5)11-22(2,3)15-8-16(26)18(28-6)9-17(15)29-24/h7-9,25-27H,10-12H2,1-6H3
InChIKeyMFPWYQQPGMGDDU-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.42
Rot. Bonds2

About 7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol

7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol (PubChem CID 162093098) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is 7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol.

Molecular Properties

Compound Name7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol
PubChem CID162093098
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Name7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol
SMILESCOc1cc2c(cc1O)C(C)(C)CC1(CC(C)(C)c3c(cc(CO)c(O)c3C)O1)O2
InChIInChI=1S/C24H30O6/c1-13-20-19(7-14(10-25)21(13)27)30-24(12-23(20,4)5)11-22(2,3)15-8-16(26)18(28-6)9-17(15)29-24/h7-9,25-27H,10-12H2,1-6H3
InChIKeyMFPWYQQPGMGDDU-UHFFFAOYSA-N
XLogP4.42
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol?
The IUPAC name of 7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol (CID 162093098) is 7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol.
What is the SMILES notation for 7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol?
The canonical SMILES for 7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol is COc1cc2c(cc1O)C(C)(C)CC1(CC(C)(C)c3c(cc(CO)c(O)c3C)O1)O2.
What is the InChIKey of 7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol?
The InChIKey is MFPWYQQPGMGDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c1-13-20-19(7-14(10-25)21(13)27)30-24(12-23(20,4)5)11-22(2,3)15-8-16(26)18(28-6)9-17(15)29-24/h7-9,25-27H,10-12H2,1-6H3.
What are the key properties of 7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol?
7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol has a molecular weight of 414.50 g/mol, XLogP of 4.42, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol is sourced from PubChem (CID 162093098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).