4-bromo-3-methyl-1,2-dihydronaphthalene

C11H11Br — CID 12009186

IUPAC4-bromo-3-methyl-1,2-dihydronaphthalene
SMILESCC1=C(Br)c2ccccc2CC1
InChIInChI=1S/C11H11Br/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5H,6-7H2,1H3
InChIKeyPLAFUGVTTBNJCR-UHFFFAOYSA-N
MW223.11 g/mol
LogP3.76
Rot. Bonds

About 4-bromo-3-methyl-1,2-dihydronaphthalene

4-bromo-3-methyl-1,2-dihydronaphthalene (PubChem CID 12009186) has the molecular formula C11H11Br and a molecular weight of 223.11 g/mol. Its IUPAC name is 4-bromo-3-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-bromo-3-methyl-1,2-dihydronaphthalene
PubChem CID12009186
Molecular FormulaC11H11Br
Molecular Weight223.11 g/mol
Exact Mass222.00
IUPAC Name4-bromo-3-methyl-1,2-dihydronaphthalene
SMILESCC1=C(Br)c2ccccc2CC1
InChIInChI=1S/C11H11Br/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5H,6-7H2,1H3
InChIKeyPLAFUGVTTBNJCR-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,10-dihydrophenanthrene;ethane
CID 143759681
potassium 2-methyl-3,4-dihydronaphthalen-1-olate
CID 23704656
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
1-bromo-9,10-dihydrophenanthrene
CID 147917753
4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene
CID 144810375
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59340364
2,3-dihydroindene-1-thione;ethane
CID 142140670
3-(1-bromo-3,4-dihydronaphthalen-2-yl)prop-2-enoic acid
CID 68980933
methyl (E)-3-(1-bromo-3,4-dihydronaphthalen-2-yl)prop-2-enoate
CID 101391920
1,2,3,4-tetramethyl-9,10-dihydrophenanthrene
CID 175462605
7-methyl-8,9-dihydrobenzo[7]annulen-5-one
CID 25023067

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1,2-dihydronaphthalene?
The IUPAC name of 4-bromo-3-methyl-1,2-dihydronaphthalene (CID 12009186) is 4-bromo-3-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for 4-bromo-3-methyl-1,2-dihydronaphthalene?
The canonical SMILES for 4-bromo-3-methyl-1,2-dihydronaphthalene is CC1=C(Br)c2ccccc2CC1.
What is the InChIKey of 4-bromo-3-methyl-1,2-dihydronaphthalene?
The InChIKey is PLAFUGVTTBNJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5H,6-7H2,1H3.
What are the key properties of 4-bromo-3-methyl-1,2-dihydronaphthalene?
4-bromo-3-methyl-1,2-dihydronaphthalene has a molecular weight of 223.11 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 12009186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).