4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene

C18H17BrCl2 — CID 107310805

IUPAC4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
SMILESClc1cccc(CC2(CBr)CCCc3ccccc32)c1Cl
InChIInChI=1S/C18H17BrCl2/c19-12-18(11-14-6-3-9-16(20)17(14)21)10-4-7-13-5-1-2-8-15(13)18/h1-3,5-6,8-9H,4,7,10-12H2
InChIKeyPTPHTTYFTTUACQ-UHFFFAOYSA-N
MW384.14 g/mol
LogP6.21
Rot. Bonds3

About 4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene

4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene (PubChem CID 107310805) has the molecular formula C18H17BrCl2 and a molecular weight of 384.14 g/mol. Its IUPAC name is 4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
PubChem CID107310805
Molecular FormulaC18H17BrCl2
Molecular Weight384.14 g/mol
Exact Mass381.99
IUPAC Name4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
SMILESClc1cccc(CC2(CBr)CCCc3ccccc32)c1Cl
InChIInChI=1S/C18H17BrCl2/c19-12-18(11-14-6-3-9-16(20)17(14)21)10-4-7-13-5-1-2-8-15(13)18/h1-3,5-6,8-9H,4,7,10-12H2
InChIKeyPTPHTTYFTTUACQ-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.14
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 66036109
4-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 66049640
4-(bromomethyl)-4-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 66049410
3-bromo-2-[[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]thiophene
CID 66049420
[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 65318575
4-[(3-bromo-4-fluorophenyl)methyl]-4-(bromomethyl)-2,3-dihydro-1H-naphthalene
CID 66048537
4-(bromomethyl)-4-heptyl-2,3-dihydro-1H-naphthalene
CID 66047892
[1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 66058133
4-(bromomethyl)-4-nonyl-2,3-dihydro-1H-naphthalene
CID 66047893
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
[4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 107310651
5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60799204

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene (CID 107310805) is 4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene is Clc1cccc(CC2(CBr)CCCc3ccccc32)c1Cl.
What is the InChIKey of 4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene?
The InChIKey is PTPHTTYFTTUACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrCl2/c19-12-18(11-14-6-3-9-16(20)17(14)21)10-4-7-13-5-1-2-8-15(13)18/h1-3,5-6,8-9H,4,7,10-12H2.
What are the key properties of 4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene?
4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene has a molecular weight of 384.14 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 107310805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).