(5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

C28H32O4 — CID 134562590

IUPAC(5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCOC(COc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1)OCC
InChIInChI=1S/C28H32O4/c1-3-30-27(31-4-2)19-32-24-14-10-21(11-15-24)28-25(20-8-6-5-7-9-20)16-12-22-18-23(29)13-17-26(22)28/h5-11,13-15,17-18,25,27-29H,3-4,12,16,19H2,1-2H3/t25-,28+/m1/s1
InChIKeyRIEFSZMHJAXPOX-NAKRPHOHSA-N
MW432.56 g/mol
LogP6.03
Rot. Bonds9

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

(5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 134562590) has the molecular formula C28H32O4 and a molecular weight of 432.56 g/mol. Its IUPAC name is (5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID134562590
Molecular FormulaC28H32O4
Molecular Weight432.56 g/mol
Exact Mass432.23
IUPAC Name(5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCOC(COc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1)OCC
InChIInChI=1S/C28H32O4/c1-3-30-27(31-4-2)19-32-24-14-10-21(11-15-24)28-25(20-8-6-5-7-9-20)16-12-22-18-23(29)13-17-26(22)28/h5-11,13-15,17-18,25,27-29H,3-4,12,16,19H2,1-2H3/t25-,28+/m1/s1
InChIKeyRIEFSZMHJAXPOX-NAKRPHOHSA-N
XLogP6.03
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butanal
CID 134582383
(5R,6R)-6-cyclohexa-2,4-dien-1-yl-5-[4-(2,2-diethoxyethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 155031488
(5S,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10527520
(5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 169315914
[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate
CID 164923584
(5R,6S)-5-[4-(methylamino)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923514
(5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 146606440
(5R)-6-phenyl-5-[4-(2-piperazin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 155031736
(5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134582698
(5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139330652
(5R,6S)-5-[4-[3-(5,8-dioxaspiro[3.4]octan-2-yl)propoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134582883
[3-[[4-[(1R,2S)-6-(2-methylpropoxy)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]cyclobutyl]methanol
CID 142367375

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 134562590) is (5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is CCOC(COc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1)OCC.
What is the InChIKey of (5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is RIEFSZMHJAXPOX-NAKRPHOHSA-N. The full InChI is InChI=1S/C28H32O4/c1-3-30-27(31-4-2)19-32-24-14-10-21(11-15-24)28-25(20-8-6-5-7-9-20)16-12-22-18-23(29)13-17-26(22)28/h5-11,13-15,17-18,25,27-29H,3-4,12,16,19H2,1-2H3/t25-,28+/m1/s1.
What are the key properties of (5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
(5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 432.56 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 134562590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).