1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol

C26H30O2 — CID 102573654

IUPAC1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC=CCc1cc2c(c(-c3c(O)c(CC=C)cc4c3CCCC4)c1O)CCCC2
InChIInChI=1S/C26H30O2/c1-3-9-19-15-17-11-5-7-13-21(17)23(25(19)27)24-22-14-8-6-12-18(22)16-20(10-4-2)26(24)28/h3-4,15-16,27-28H,1-2,5-14H2
InChIKeyYHHXUVONTRJNSR-UHFFFAOYSA-N
MW374.52 g/mol
LogP5.98
Rot. Bonds5

About 1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol

1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 102573654) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID102573654
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC=CCc1cc2c(c(-c3c(O)c(CC=C)cc4c3CCCC4)c1O)CCCC2
InChIInChI=1S/C26H30O2/c1-3-9-19-15-17-11-5-7-13-21(17)23(25(19)27)24-22-14-8-6-12-18(22)16-20(10-4-2)26(24)28/h3-4,15-16,27-28H,1-2,5-14H2
InChIKeyYHHXUVONTRJNSR-UHFFFAOYSA-N
XLogP5.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(dibutylamino)methyl]-1-[3-[(dibutylamino)methyl]-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 46217208
1-[2-hydroxy-3-[(naphthalen-1-ylmethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[(naphthalen-1-ylmethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 46217631
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 46217517
CID 123134100
CID 123134100
4-[[3,5-bis[[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]methyl]phenyl]methyl]-2,6-bis(prop-2-enyl)phenol
CID 67817993
4-(hydroxymethyl)-2,6-bis(prop-2-enyl)phenol
CID 67498252
4-hydroxy-3,5-bis(prop-2-enyl)benzamide
CID 70425276
3-hydroxy-4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 89381812
3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal
CID 88801025
4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol
CID 70573204
2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone
CID 3051292
(4-hydroxy-3-methyl-5-prop-2-enylphenyl) acetate
CID 165355215

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 102573654) is 1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol is C=CCc1cc2c(c(-c3c(O)c(CC=C)cc4c3CCCC4)c1O)CCCC2.
What is the InChIKey of 1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is YHHXUVONTRJNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-3-9-19-15-17-11-5-7-13-21(17)23(25(19)27)24-22-14-8-6-12-18(22)16-20(10-4-2)26(24)28/h3-4,15-16,27-28H,1-2,5-14H2.
What are the key properties of 1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol?
1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 374.52 g/mol, XLogP of 5.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 102573654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).