[4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol

C44H54O3 — CID 67916537

IUPAC[4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol
SMILESCC1(C)CCC(C)(C)c2c1ccc(Oc1ccc3c(c1Cc1ccc(CO)cc1)C(C)(C)CCC3(C)C)c2Cc1ccc(CO)cc1
InChIInChI=1S/C44H54O3/c1-41(2)21-23-43(5,6)39-33(25-29-9-13-31(27-45)14-10-29)37(19-17-35(39)41)47-38-20-18-36-40(44(7,8)24-22-42(36,3)4)34(38)26-30-11-15-32(28-46)16-12-30/h9-20,45-46H,21-28H2,1-8H3
InChIKeyGNKCFHTWJQGNEE-UHFFFAOYSA-N
MW630.91 g/mol
LogP10.34
Rot. Bonds8

About [4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol

[4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol (PubChem CID 67916537) has the molecular formula C44H54O3 and a molecular weight of 630.91 g/mol. Its IUPAC name is [4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol
PubChem CID67916537
Molecular FormulaC44H54O3
Molecular Weight630.91 g/mol
Exact Mass630.41
IUPAC Name[4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol
SMILESCC1(C)CCC(C)(C)c2c1ccc(Oc1ccc3c(c1Cc1ccc(CO)cc1)C(C)(C)CCC3(C)C)c2Cc1ccc(CO)cc1
InChIInChI=1S/C44H54O3/c1-41(2)21-23-43(5,6)39-33(25-29-9-13-31(27-45)14-10-29)37(19-17-35(39)41)47-38-20-18-36-40(44(7,8)24-22-42(36,3)4)34(38)26-30-11-15-32(28-46)16-12-30/h9-20,45-46H,21-28H2,1-8H3
InChIKeyGNKCFHTWJQGNEE-UHFFFAOYSA-N
XLogP10.34
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.91
LogP ≤ 510.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol (CID 67916537) is [4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol is CC1(C)CCC(C)(C)c2c1ccc(Oc1ccc3c(c1Cc1ccc(CO)cc1)C(C)(C)CCC3(C)C)c2Cc1ccc(CO)cc1.
What is the InChIKey of [4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol?
The InChIKey is GNKCFHTWJQGNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54O3/c1-41(2)21-23-43(5,6)39-33(25-29-9-13-31(27-45)14-10-29)37(19-17-35(39)41)47-38-20-18-36-40(44(7,8)24-22-42(36,3)4)34(38)26-30-11-15-32(28-46)16-12-30/h9-20,45-46H,21-28H2,1-8H3.
What are the key properties of [4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol?
[4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol has a molecular weight of 630.91 g/mol, XLogP of 10.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[[1-[[4-(hydroxymethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 67916537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).