(5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

C23H24O — CID 142090259

IUPAC(5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC=C/C=C(\C=C/C)[C@H]1CCc2cc(O)ccc2[C@H]1c1ccccc1
InChIInChI=1S/C23H24O/c1-3-8-17(9-4-2)21-14-12-19-16-20(24)13-15-22(19)23(21)18-10-6-5-7-11-18/h3-11,13,15-16,21,23-24H,1,12,14H2,2H3/b9-4-,17-8+/t21-,23+/m1/s1
InChIKeyVGWXVUURDQNTEV-VIHHIWMGSA-N
MW316.44 g/mol
LogP5.78
Rot. Bonds4

About (5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

(5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 142090259) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is (5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID142090259
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name(5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC=C/C=C(\C=C/C)[C@H]1CCc2cc(O)ccc2[C@H]1c1ccccc1
InChIInChI=1S/C23H24O/c1-3-8-17(9-4-2)21-14-12-19-16-20(24)13-15-22(19)23(21)18-10-6-5-7-11-18/h3-11,13,15-16,21,23-24H,1,12,14H2,2H3/b9-4-,17-8+/t21-,23+/m1/s1
InChIKeyVGWXVUURDQNTEV-VIHHIWMGSA-N
XLogP5.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbaldehyde
CID 142368214
5-[4-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923268
(5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 169315914
(5R,6S)-5-[4-(methylamino)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923514
ethane;2-[[6-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl thiohypoiodite
CID 177319518
5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 142068232
(5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 146606440
4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 172797617
5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923642
(5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139330652
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787
[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate
CID 164923584

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 142090259) is (5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is C=C/C=C(\C=C/C)[C@H]1CCc2cc(O)ccc2[C@H]1c1ccccc1.
What is the InChIKey of (5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is VGWXVUURDQNTEV-VIHHIWMGSA-N. The full InChI is InChI=1S/C23H24O/c1-3-8-17(9-4-2)21-14-12-19-16-20(24)13-15-22(19)23(21)18-10-6-5-7-11-18/h3-11,13,15-16,21,23-24H,1,12,14H2,2H3/b9-4-,17-8+/t21-,23+/m1/s1.
What are the key properties of (5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
(5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 316.44 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 142090259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).