3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

C40H46O2 — CID 122383670

IUPAC3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(C)c1ccc(-c2cc3c(c(-c4c(O)c(-c5ccc(C(C)(C)C)cc5)cc5c4CCCC5)c2O)CCCC3)cc1
InChIInChI=1S/C40H46O2/c1-39(2,3)29-19-15-25(16-20-29)33-23-27-11-7-9-13-31(27)35(37(33)41)36-32-14-10-8-12-28(32)24-34(38(36)42)26-17-21-30(22-18-26)40(4,5)6/h15-24,41-42H,7-14H2,1-6H3
InChIKeyIQGHFQRJCGFATR-UHFFFAOYSA-N
MW558.81 g/mol
LogP10.45
Rot. Bonds3

About 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 122383670) has the molecular formula C40H46O2 and a molecular weight of 558.81 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID122383670
Molecular FormulaC40H46O2
Molecular Weight558.81 g/mol
Exact Mass558.35
IUPAC Name3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(C)c1ccc(-c2cc3c(c(-c4c(O)c(-c5ccc(C(C)(C)C)cc5)cc5c4CCCC5)c2O)CCCC3)cc1
InChIInChI=1S/C40H46O2/c1-39(2,3)29-19-15-25(16-20-29)33-23-27-11-7-9-13-31(27)35(37(33)41)36-32-14-10-8-12-28(32)24-34(38(36)42)26-17-21-30(22-18-26)40(4,5)6/h15-24,41-42H,7-14H2,1-6H3
InChIKeyIQGHFQRJCGFATR-UHFFFAOYSA-N
XLogP10.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.81
LogP ≤ 510.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

1-[2-hydroxy-3-(4-methylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(4-methylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 122383674
CID 123134100
CID 123134100
2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol
CID 22620601
5-methyl-6,7-diphenyl-1,2,3,4-tetrahydronaphthalene
CID 170671649
[4-(4-tert-butylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 178126128
3-(4-cyclohexylphenyl)-1-[3-(4-cyclohexylphenyl)-2-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 155009148
3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 82366265
7-(4-tert-butylphenyl)-2,3-dihydro-1H-inden-1-ol
CID 140664493
3-bromo-5-(4-tert-butylphenyl)-4-hydroxybenzonitrile
CID 167328994
4-(4-tert-butylphenyl)benzene-1,3-diol
CID 57237092
5-tert-butyl-3-(4-tert-butylphenyl)-2-hydroxybenzoic acid
CID 19832850
6,13,20,27-tetratert-butylpentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(28),4,6,8(32),11,13,15(31),18(30),19,21,25(29),26-dodecaene-29,30,31,32-tetrol
CID 12707932

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 122383670) is 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is CC(C)(C)c1ccc(-c2cc3c(c(-c4c(O)c(-c5ccc(C(C)(C)C)cc5)cc5c4CCCC5)c2O)CCCC3)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is IQGHFQRJCGFATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46O2/c1-39(2,3)29-19-15-25(16-20-29)33-23-27-11-7-9-13-31(27)35(37(33)41)36-32-14-10-8-12-28(32)24-34(38(36)42)26-17-21-30(22-18-26)40(4,5)6/h15-24,41-42H,7-14H2,1-6H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 558.81 g/mol, XLogP of 10.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 122383670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).