4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene

C20H21BrO — CID 139336496

IUPAC4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene
SMILESCOc1ccc2c(c1)CCC(c1ccc(C(C)C)cc1)=C2Br
InChIInChI=1S/C20H21BrO/c1-13(2)14-4-6-15(7-5-14)18-10-8-16-12-17(22-3)9-11-19(16)20(18)21/h4-7,9,11-13H,8,10H2,1-3H3
InChIKeyPZCZYOVGWUPODZ-UHFFFAOYSA-N
MW357.29 g/mol
LogP6.03
Rot. Bonds3

About 4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene

4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene (PubChem CID 139336496) has the molecular formula C20H21BrO and a molecular weight of 357.29 g/mol. Its IUPAC name is 4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene
PubChem CID139336496
Molecular FormulaC20H21BrO
Molecular Weight357.29 g/mol
Exact Mass356.08
IUPAC Name4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene
SMILESCOc1ccc2c(c1)CCC(c1ccc(C(C)C)cc1)=C2Br
InChIInChI=1S/C20H21BrO/c1-13(2)14-4-6-15(7-5-14)18-10-8-16-12-17(22-3)9-11-19(16)20(18)21/h4-7,9,11-13H,8,10H2,1-3H3
InChIKeyPZCZYOVGWUPODZ-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.29
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-[(4-propan-2-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 2738104
2-[2-[4-[6-methoxy-2-(4-propan-2-ylphenyl)-3,4-dihydronaphthalen-1-yl]phenyl]ethyl]-4-methylbenzenesulfonic acid
CID 175089582
7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one
CID 615098
[6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 12017123
3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran
CID 155702191
5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide
CID 11030624
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
7-methoxy-9,10-dihydrophenanthrene-1,4-dione
CID 23251755
5-bromo-13-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 59272320
4-methoxy-2-(4-propan-2-ylphenyl)benzonitrile
CID 172989867
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline
CID 122449104

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene?
The IUPAC name of 4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene (CID 139336496) is 4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene?
The canonical SMILES for 4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene is COc1ccc2c(c1)CCC(c1ccc(C(C)C)cc1)=C2Br.
What is the InChIKey of 4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene?
The InChIKey is PZCZYOVGWUPODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrO/c1-13(2)14-4-6-15(7-5-14)18-10-8-16-12-17(22-3)9-11-19(16)20(18)21/h4-7,9,11-13H,8,10H2,1-3H3.
What are the key properties of 4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene?
4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene has a molecular weight of 357.29 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methoxy-3-(4-propan-2-ylphenyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 139336496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).