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

C22H20O2 — CID 90671937

IUPAC(5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H20O2/c23-18-9-6-16(7-10-18)22-20(15-4-2-1-3-5-15)12-8-17-14-19(24)11-13-21(17)22/h1-7,9-11,13-14,20,22-24H,8,12H2/t20-,22+/m1/s1
InChIKeyAQRJVZJHYJLAEV-IRLDBZIGSA-N
MW316.40 g/mol
LogP4.96
Rot. Bonds2

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

(5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 90671937) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID90671937
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name(5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H20O2/c23-18-9-6-16(7-10-18)22-20(15-4-2-1-3-5-15)12-8-17-14-19(24)11-13-21(17)22/h1-7,9-11,13-14,20,22-24H,8,12H2/t20-,22+/m1/s1
InChIKeyAQRJVZJHYJLAEV-IRLDBZIGSA-N
XLogP4.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 90671937) is (5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is AQRJVZJHYJLAEV-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H20O2/c23-18-9-6-16(7-10-18)22-20(15-4-2-1-3-5-15)12-8-17-14-19(24)11-13-21(17)22/h1-7,9-11,13-14,20,22-24H,8,12H2/t20-,22+/m1/s1.
What are the key properties of (5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
(5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 316.40 g/mol, XLogP of 4.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 90671937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).