1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene

C12H15BrO — CID 79726783

IUPAC1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene
SMILESCOCc1cccc2c1CC(C)C2Br
InChIInChI=1S/C12H15BrO/c1-8-6-11-9(7-14-2)4-3-5-10(11)12(8)13/h3-5,8,12H,6-7H2,1-2H3
InChIKeyXCBHZQDXYDMLDW-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.46
Rot. Bonds2

About 1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene

1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene (PubChem CID 79726783) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene
PubChem CID79726783
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene
SMILESCOCc1cccc2c1CC(C)C2Br
InChIInChI=1S/C12H15BrO/c1-8-6-11-9(7-14-2)4-3-5-10(11)12(8)13/h3-5,8,12H,6-7H2,1-2H3
InChIKeyXCBHZQDXYDMLDW-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-6-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene
CID 79726450
1,8-bis(methoxymethyl)-9H-fluorene
CID 176835432
7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole
CID 118511571
2-[2-(methoxymethyl)phenyl]oxan-3-amine
CID 79365604
tris(2,6-bis(methoxymethyl)benzenethiol);trihydrofluoride
CID 173023834
2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene
CID 151554514
4-[2-methoxy-3-(methoxymethyl)phenyl]piperidine
CID 117343038
1-methoxy-2-methyl-2,3-dihydro-1H-inden-4-ol
CID 59832529
2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane
CID 66226828
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride
CID 19835696
3-(methoxymethyl)benzene-1,2-diamine
CID 45116640

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene (CID 79726783) is 1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene is COCc1cccc2c1CC(C)C2Br.
What is the InChIKey of 1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene?
The InChIKey is XCBHZQDXYDMLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-8-6-11-9(7-14-2)4-3-5-10(11)12(8)13/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of 1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene?
1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene has a molecular weight of 255.15 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(methoxymethyl)-2-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 79726783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).