(5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol

C22H28O — CID 166880868

IUPAC(5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol
SMILESCCc1ccc(C[C@@]2(C)CCCc3cc(O)c(CC)cc32)cc1
InChIInChI=1S/C22H28O/c1-4-16-8-10-17(11-9-16)15-22(3)12-6-7-19-14-21(23)18(5-2)13-20(19)22/h8-11,13-14,23H,4-7,12,15H2,1-3H3/t22-/m1/s1
InChIKeyREQNYJSJHKTJOM-JOCHJYFZSA-N
MW308.47 g/mol
LogP5.35
Rot. Bonds4

About (5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol

(5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol (PubChem CID 166880868) has the molecular formula C22H28O and a molecular weight of 308.47 g/mol. Its IUPAC name is (5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol.

Molecular Properties

Compound Name(5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol
PubChem CID166880868
Molecular FormulaC22H28O
Molecular Weight308.47 g/mol
Exact Mass308.21
IUPAC Name(5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol
SMILESCCc1ccc(C[C@@]2(C)CCCc3cc(O)c(CC)cc32)cc1
InChIInChI=1S/C22H28O/c1-4-16-8-10-17(11-9-16)15-22(3)12-6-7-19-14-21(23)18(5-2)13-20(19)22/h8-11,13-14,23H,4-7,12,15H2,1-3H3/t22-/m1/s1
InChIKeyREQNYJSJHKTJOM-JOCHJYFZSA-N
XLogP5.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol?
The IUPAC name of (5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol (CID 166880868) is (5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol.
What is the SMILES notation for (5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol?
The canonical SMILES for (5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol is CCc1ccc(C[C@@]2(C)CCCc3cc(O)c(CC)cc32)cc1.
What is the InChIKey of (5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol?
The InChIKey is REQNYJSJHKTJOM-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28O/c1-4-16-8-10-17(11-9-16)15-22(3)12-6-7-19-14-21(23)18(5-2)13-20(19)22/h8-11,13-14,23H,4-7,12,15H2,1-3H3/t22-/m1/s1.
What are the key properties of (5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol?
(5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol has a molecular weight of 308.47 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-ethyl-5-[(4-ethylphenyl)methyl]-5-methyl-7,8-dihydro-6H-naphthalen-2-ol is sourced from PubChem (CID 166880868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).