3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene

C22H26 — CID 23537876

IUPAC3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene
SMILESC=CCC1c2ccc(C)cc2CCC1(C)c1ccc(C)cc1
InChIInChI=1S/C22H26/c1-5-6-21-20-12-9-17(3)15-18(20)13-14-22(21,4)19-10-7-16(2)8-11-19/h5,7-12,15,21H,1,6,13-14H2,2-4H3
InChIKeySWSYPPVANYRANM-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.87
Rot. Bonds3

About 3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene

3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene (PubChem CID 23537876) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene.

Molecular Properties

Compound Name3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene
PubChem CID23537876
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene
SMILESC=CCC1c2ccc(C)cc2CCC1(C)c1ccc(C)cc1
InChIInChI=1S/C22H26/c1-5-6-21-20-12-9-17(3)15-18(20)13-14-22(21,4)19-10-7-16(2)8-11-19/h5,7-12,15,21H,1,6,13-14H2,2-4H3
InChIKeySWSYPPVANYRANM-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydrothiochromene
CID 20579561
2,6-dimethyl-2-(4-methylphenyl)-3,4-dihydro-1H-naphthalen-1-ol
CID 23537896
1-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropan-1-amine
CID 83908419
methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol
CID 142068368
1-methyl-4-(1-prop-2-enylcyclopropyl)benzene
CID 142535981
2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 105435841
3,13-dimethyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene;methane
CID 142945041
1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene
CID 84717004
(4aS,9bS)-4a,7-dimethyl-1,2,3,4,5,9b-hexahydroindeno[1,2-b]pyridine
CID 59542270
(2R)-2-ethenyl-6-methyl-3,4-dihydro-2H-chromene
CID 101259581
3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)
CID 143462508
(5R)-5-ethenyl-8-methyl-3-(4-methylphenyl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine
CID 102197856

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene?
The IUPAC name of 3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene (CID 23537876) is 3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene.
What is the SMILES notation for 3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene?
The canonical SMILES for 3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene is C=CCC1c2ccc(C)cc2CCC1(C)c1ccc(C)cc1.
What is the InChIKey of 3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene?
The InChIKey is SWSYPPVANYRANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-5-6-21-20-12-9-17(3)15-18(20)13-14-22(21,4)19-10-7-16(2)8-11-19/h5,7-12,15,21H,1,6,13-14H2,2-4H3.
What are the key properties of 3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene?
3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene has a molecular weight of 290.45 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3-(4-methylphenyl)-4-prop-2-enyl-2,4-dihydro-1H-naphthalene is sourced from PubChem (CID 23537876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).