(1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene

C28H34O — CID 143950496

IUPAC(1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene
SMILESC=Cc1cc(C=CC)cc(O[C@H]2c3ccccc3CCC2C2CCC[C@@H](C)C2)c1
InChIInChI=1S/C28H34O/c1-4-9-22-17-21(5-2)18-25(19-22)29-28-26-13-7-6-11-23(26)14-15-27(28)24-12-8-10-20(3)16-24/h4-7,9,11,13,17-20,24,27-28H,2,8,10,12,14-16H2,1,3H3/t20-,24?,27?,28+/m1/s1
InChIKeyXHNJWJDTUADSRR-VYUJDXMBSA-N
MW386.58 g/mol
LogP7.87
Rot. Bonds5

About (1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene

(1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 143950496) has the molecular formula C28H34O and a molecular weight of 386.58 g/mol. Its IUPAC name is (1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID143950496
Molecular FormulaC28H34O
Molecular Weight386.58 g/mol
Exact Mass386.26
IUPAC Name(1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene
SMILESC=Cc1cc(C=CC)cc(O[C@H]2c3ccccc3CCC2C2CCC[C@@H](C)C2)c1
InChIInChI=1S/C28H34O/c1-4-9-22-17-21(5-2)18-25(19-22)29-28-26-13-7-6-11-23(26)14-15-27(28)24-12-8-10-20(3)16-24/h4-7,9,11,13,17-20,24,27-28H,2,8,10,12,14-16H2,1,3H3/t20-,24?,27?,28+/m1/s1
InChIKeyXHNJWJDTUADSRR-VYUJDXMBSA-N
XLogP7.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene (CID 143950496) is (1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene is C=Cc1cc(C=CC)cc(O[C@H]2c3ccccc3CCC2C2CCC[C@@H](C)C2)c1.
What is the InChIKey of (1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XHNJWJDTUADSRR-VYUJDXMBSA-N. The full InChI is InChI=1S/C28H34O/c1-4-9-22-17-21(5-2)18-25(19-22)29-28-26-13-7-6-11-23(26)14-15-27(28)24-12-8-10-20(3)16-24/h4-7,9,11,13,17-20,24,27-28H,2,8,10,12,14-16H2,1,3H3/t20-,24?,27?,28+/m1/s1.
What are the key properties of (1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene?
(1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 386.58 g/mol, XLogP of 7.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143950496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).