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

C18H18BrClO — CID 106893940

IUPAC2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene
SMILESCOc1cc(C)c(Br)cc1C(Cl)C1Cc2ccccc2C1
InChIInChI=1S/C18H18BrClO/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
InChIKeyDRJQPOQAVKALNT-UHFFFAOYSA-N
MW365.70 g/mol
LogP5.46
Rot. Bonds3

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

2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene (PubChem CID 106893940) has the molecular formula C18H18BrClO and a molecular weight of 365.70 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene
PubChem CID106893940
Molecular FormulaC18H18BrClO
Molecular Weight365.70 g/mol
Exact Mass364.02
IUPAC Name2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene
SMILESCOc1cc(C)c(Br)cc1C(Cl)C1Cc2ccccc2C1
InChIInChI=1S/C18H18BrClO/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
InChIKeyDRJQPOQAVKALNT-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.70
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893941
2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893815
2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893752
1-bromo-5-[(2-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65432019
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893808
1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65433369
1-bromo-5-[chloro-(2-iodophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432597
1-bromo-5-[bromo-(2-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433576
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893771
2-[(3-bromo-4-ethoxyphenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 106893992
1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396342
(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol
CID 65432012

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene?
The IUPAC name of 2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene (CID 106893940) is 2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene is COc1cc(C)c(Br)cc1C(Cl)C1Cc2ccccc2C1.
What is the InChIKey of 2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene?
The InChIKey is DRJQPOQAVKALNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClO/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-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene?
2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene has a molecular weight of 365.70 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 106893940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).