(5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

C26H28O — CID 169315914

IUPAC(5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(C)c1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C26H28O/c1-26(2,3)21-12-9-19(10-13-21)25-23(18-7-5-4-6-8-18)15-11-20-17-22(27)14-16-24(20)25/h4-10,12-14,16-17,23,25,27H,11,15H2,1-3H3/t23-,25+/m1/s1
InChIKeyIWSJMGAAMWSTGX-NOZRDPDXSA-N
MW356.51 g/mol
LogP6.55
Rot. Bonds2

About (5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

(5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 169315914) has the molecular formula C26H28O and a molecular weight of 356.51 g/mol. Its IUPAC name is (5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID169315914
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name(5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(C)c1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C26H28O/c1-26(2,3)21-12-9-19(10-13-21)25-23(18-7-5-4-6-8-18)15-11-20-17-22(27)14-16-24(20)25/h4-10,12-14,16-17,23,25,27H,11,15H2,1-3H3/t23-,25+/m1/s1
InChIKeyIWSJMGAAMWSTGX-NOZRDPDXSA-N
XLogP6.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 169315914) is (5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is CC(C)(C)c1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is IWSJMGAAMWSTGX-NOZRDPDXSA-N. The full InChI is InChI=1S/C26H28O/c1-26(2,3)21-12-9-19(10-13-21)25-23(18-7-5-4-6-8-18)15-11-20-17-22(27)14-16-24(20)25/h4-10,12-14,16-17,23,25,27H,11,15H2,1-3H3/t23-,25+/m1/s1.
What are the key properties of (5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
(5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 356.51 g/mol, XLogP of 6.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 169315914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).