1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene

C14H18Br2O2 — CID 63535191

IUPAC1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
SMILESCOc1cc(CBr)cc(Br)c1OCC1CCCC1
InChIInChI=1S/C14H18Br2O2/c1-17-13-7-11(8-15)6-12(16)14(13)18-9-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3
InChIKeyINOBBVNHFJRBAY-UHFFFAOYSA-N
MW378.10 g/mol
LogP4.92
Rot. Bonds5

About 1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene

1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene (PubChem CID 63535191) has the molecular formula C14H18Br2O2 and a molecular weight of 378.10 g/mol. Its IUPAC name is 1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
PubChem CID63535191
Molecular FormulaC14H18Br2O2
Molecular Weight378.10 g/mol
Exact Mass375.97
IUPAC Name1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
SMILESCOc1cc(CBr)cc(Br)c1OCC1CCCC1
InChIInChI=1S/C14H18Br2O2/c1-17-13-7-11(8-15)6-12(16)14(13)18-9-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3
InChIKeyINOBBVNHFJRBAY-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.10
LogP ≤ 54.92
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-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene
CID 43622731
1-bromo-5-(bromomethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
CID 65459224
5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63536015
1-[3-bromo-4-(cyclobutylmethoxy)-5-methoxyphenyl]propan-2-amine
CID 65459301
5-(bromomethyl)-1-chloro-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65456921
4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
CID 61343201
[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 61342425
[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol
CID 65459217
[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 65458991
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
CID 61343582
1-bromo-5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-3-methoxybenzene
CID 106929890

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene?
The IUPAC name of 1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene (CID 63535191) is 1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene.
What is the SMILES notation for 1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene?
The canonical SMILES for 1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene is COc1cc(CBr)cc(Br)c1OCC1CCCC1.
What is the InChIKey of 1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene?
The InChIKey is INOBBVNHFJRBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2O2/c1-17-13-7-11(8-15)6-12(16)14(13)18-9-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene?
1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene has a molecular weight of 378.10 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene is sourced from PubChem (CID 63535191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).