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

C23H24O2 — CID 142068232

IUPAC5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC=C/C=C\C(=C/C)C1c2ccc(O)cc2CCC1c1ccc(O)cc1
InChIInChI=1S/C23H24O2/c1-3-5-6-16(4-2)23-21(17-7-10-19(24)11-8-17)13-9-18-15-20(25)12-14-22(18)23/h3-8,10-12,14-15,21,23-25H,1,9,13H2,2H3/b6-5-,16-4+
InChIKeyGGPRHJZGFSQFRM-QRHXCOLQSA-N
MW332.44 g/mol
LogP5.60
Rot. Bonds4

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

5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 142068232) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID142068232
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC=C/C=C\C(=C/C)C1c2ccc(O)cc2CCC1c1ccc(O)cc1
InChIInChI=1S/C23H24O2/c1-3-5-6-16(4-2)23-21(17-7-10-19(24)11-8-17)13-9-18-15-20(25)12-14-22(18)23/h3-8,10-12,14-15,21,23-25H,1,9,13H2,2H3/b6-5-,16-4+
InChIKeyGGPRHJZGFSQFRM-QRHXCOLQSA-N
XLogP5.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 143278519
(5R,6S)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 142090259
(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
[5-[4-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]boronic acid
CID 164922888
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
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
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)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787
(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
(8S)-7,7,8-trimethyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
CID 58697889

Frequently Asked Questions

What is the IUPAC name of 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 142068232) is 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is C=C/C=C\C(=C/C)C1c2ccc(O)cc2CCC1c1ccc(O)cc1.
What is the InChIKey of 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is GGPRHJZGFSQFRM-QRHXCOLQSA-N. The full InChI is InChI=1S/C23H24O2/c1-3-5-6-16(4-2)23-21(17-7-10-19(24)11-8-17)13-9-18-15-20(25)12-14-22(18)23/h3-8,10-12,14-15,21,23-25H,1,9,13H2,2H3/b6-5-,16-4+.
What are the key properties of 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 332.44 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 142068232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).