1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene

C15H20BrClO2 — CID 43622731

IUPAC1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene
SMILESCOc1cc(CCl)cc(Br)c1OCC1CCCCC1
InChIInChI=1S/C15H20BrClO2/c1-18-14-8-12(9-17)7-13(16)15(14)19-10-11-5-3-2-4-6-11/h7-8,11H,2-6,9-10H2,1H3
InChIKeyVFDYDQVXBHNPSY-UHFFFAOYSA-N
MW347.68 g/mol
LogP5.16
Rot. Bonds5

About 1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene

1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene (PubChem CID 43622731) has the molecular formula C15H20BrClO2 and a molecular weight of 347.68 g/mol. Its IUPAC name is 1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene
PubChem CID43622731
Molecular FormulaC15H20BrClO2
Molecular Weight347.68 g/mol
Exact Mass346.03
IUPAC Name1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene
SMILESCOc1cc(CCl)cc(Br)c1OCC1CCCCC1
InChIInChI=1S/C15H20BrClO2/c1-18-14-8-12(9-17)7-13(16)15(14)19-10-11-5-3-2-4-6-11/h7-8,11H,2-6,9-10H2,1H3
InChIKeyVFDYDQVXBHNPSY-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.68
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63535191
1-bromo-5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-3-methoxybenzene
CID 106929890
2-[[2-bromo-4-(chloromethyl)-6-methoxyphenoxy]methyl]oxane
CID 43622743
1-chloro-5-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65460365
[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
1-[3-bromo-4-(cyclobutylmethoxy)-5-methoxyphenyl]propan-2-amine
CID 65459301
5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63536015
1-bromo-5-(bromomethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
CID 65459224
5-(bromomethyl)-1-chloro-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65456921
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380
[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol
CID 65459217
[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 65458991

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene?
The IUPAC name of 1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene (CID 43622731) is 1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene.
What is the SMILES notation for 1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene?
The canonical SMILES for 1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene is COc1cc(CCl)cc(Br)c1OCC1CCCCC1.
What is the InChIKey of 1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene?
The InChIKey is VFDYDQVXBHNPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClO2/c1-18-14-8-12(9-17)7-13(16)15(14)19-10-11-5-3-2-4-6-11/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of 1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene?
1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene has a molecular weight of 347.68 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene is sourced from PubChem (CID 43622731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).