[6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol

C27H36O6 — CID 158471332

IUPAC[6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol
SMILESCOc1cc2c(c(OC)c1OC)C1(CC(C)(C)c3cc(CO)c(CO)c(OC)c31)CC2(C)C
InChIInChI=1S/C27H36O6/c1-25(2)13-27(20-17(25)9-15(11-28)16(12-29)22(20)31-6)14-26(3,4)18-10-19(30-5)23(32-7)24(33-8)21(18)27/h9-10,28-29H,11-14H2,1-8H3
InChIKeyOZYWJPZTUNSIMV-UHFFFAOYSA-N
MW456.58 g/mol
LogP4.35
Rot. Bonds6

About [6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol

[6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol (PubChem CID 158471332) has the molecular formula C27H36O6 and a molecular weight of 456.58 g/mol. Its IUPAC name is [6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol
PubChem CID158471332
Molecular FormulaC27H36O6
Molecular Weight456.58 g/mol
Exact Mass456.25
IUPAC Name[6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol
SMILESCOc1cc2c(c(OC)c1OC)C1(CC(C)(C)c3cc(CO)c(CO)c(OC)c31)CC2(C)C
InChIInChI=1S/C27H36O6/c1-25(2)13-27(20-17(25)9-15(11-28)16(12-29)22(20)31-6)14-26(3,4)18-10-19(30-5)23(32-7)24(33-8)21(18)27/h9-10,28-29H,11-14H2,1-8H3
InChIKeyOZYWJPZTUNSIMV-UHFFFAOYSA-N
XLogP4.35
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
1,1,1',1'-tetramethyl-4,4',5,5',6,6'-hexakis(prop-2-enoxy)-3,3'-spirobi[2H-indene]
CID 139480593
6,6'-dimethoxy-3,3,3',3'-tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5'-tetrol
CID 102292804
[2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol
CID 90759523
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682
1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol
CID 908982
[3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol
CID 71104274
5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol
CID 123147657
(2-bromo-3-ethyl-5,6-dimethoxyphenyl)methanol
CID 84714156
(1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
CID 160859326
[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol
CID 44578876
2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol
CID 115977495

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol?
The IUPAC name of [6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol (CID 158471332) is [6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol?
The canonical SMILES for [6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol is COc1cc2c(c(OC)c1OC)C1(CC(C)(C)c3cc(CO)c(CO)c(OC)c31)CC2(C)C.
What is the InChIKey of [6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol?
The InChIKey is OZYWJPZTUNSIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O6/c1-25(2)13-27(20-17(25)9-15(11-28)16(12-29)22(20)31-6)14-26(3,4)18-10-19(30-5)23(32-7)24(33-8)21(18)27/h9-10,28-29H,11-14H2,1-8H3.
What are the key properties of [6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol?
[6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol has a molecular weight of 456.58 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol is sourced from PubChem (CID 158471332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).