4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene

C21H24O — CID 172756052

IUPAC4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene
SMILESC=CCC1(c2ccc(OC)cc2)c2ccccc2CCC1C
InChIInChI=1S/C21H24O/c1-4-15-21(18-11-13-19(22-3)14-12-18)16(2)9-10-17-7-5-6-8-20(17)21/h4-8,11-14,16H,1,9-10,15H2,2-3H3
InChIKeyLAQIOXDMVPUNJL-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.14
Rot. Bonds4

About 4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene

4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene (PubChem CID 172756052) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene
PubChem CID172756052
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene
SMILESC=CCC1(c2ccc(OC)cc2)c2ccccc2CCC1C
InChIInChI=1S/C21H24O/c1-4-15-21(18-11-13-19(22-3)14-12-18)16(2)9-10-17-7-5-6-8-20(17)21/h4-8,11-14,16H,1,9-10,15H2,2-3H3
InChIKeyLAQIOXDMVPUNJL-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile
CID 101147170
2-[(1R)-1-(4-methoxyphenyl)-2,3-dihydroinden-1-yl]acetonitrile
CID 102389675
trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one
CID 134963153
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
CID 54098142
2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
CID 19261422
2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile
CID 11403204
2-(4-methoxyphenyl)-1,3-dihydroinden-2-ol
CID 15112860
1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
CID 54919051
(1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 45103435
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
(2S)-2-(3-methoxyphenyl)-2-prop-2-enylcyclohexan-1-one
CID 135043755

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene (CID 172756052) is 4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene is C=CCC1(c2ccc(OC)cc2)c2ccccc2CCC1C.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene?
The InChIKey is LAQIOXDMVPUNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c1-4-15-21(18-11-13-19(22-3)14-12-18)16(2)9-10-17-7-5-6-8-20(17)21/h4-8,11-14,16H,1,9-10,15H2,2-3H3.
What are the key properties of 4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene?
4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene has a molecular weight of 292.42 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 172756052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).