2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene

C18H18Br2O — CID 106893941

IUPAC2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCOc1cc(C)c(Br)cc1C(Br)C1Cc2ccccc2C1
InChIInChI=1S/C18H18Br2O/c1-11-7-17(21-2)15(10-16(11)19)18(20)14-8-12-5-3-4-6-13(12)9-14/h3-7,10,14,18H,8-9H2,1-2H3
InChIKeyNJCSXNWDCSGBAF-UHFFFAOYSA-N
MW410.15 g/mol
LogP5.62
Rot. Bonds3

About 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene

2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 106893941) has the molecular formula C18H18Br2O and a molecular weight of 410.15 g/mol. Its IUPAC name is 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID106893941
Molecular FormulaC18H18Br2O
Molecular Weight410.15 g/mol
Exact Mass407.97
IUPAC Name2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCOc1cc(C)c(Br)cc1C(Br)C1Cc2ccccc2C1
InChIInChI=1S/C18H18Br2O/c1-11-7-17(21-2)15(10-16(11)19)18(20)14-8-12-5-3-4-6-13(12)9-14/h3-7,10,14,18H,8-9H2,1-2H3
InChIKeyNJCSXNWDCSGBAF-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.15
LogP ≤ 55.62
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

2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 106893940
4-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]oxane
CID 65433192
1-bromo-5-[bromo-(2-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433576
1-bromo-5-[(2-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65432019
(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol
CID 65432012
1-bromo-5-[bromo-(3-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432224
(5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine
CID 65440297
1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 106892754
(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126582
7-[bromo-(2,4-dimethoxyphenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66396942
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
CID 65440107
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107950679

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene (CID 106893941) is 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene is COc1cc(C)c(Br)cc1C(Br)C1Cc2ccccc2C1.
What is the InChIKey of 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is NJCSXNWDCSGBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2O/c1-11-7-17(21-2)15(10-16(11)19)18(20)14-8-12-5-3-4-6-13(12)9-14/h3-7,10,14,18H,8-9H2,1-2H3.
What are the key properties of 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene?
2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 410.15 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 106893941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).