1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene

C15H21BrO3 — CID 65326385

IUPAC1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene
SMILESCOc1ccc(Br)c(COC2CCCC(OC)C2)c1
InChIInChI=1S/C15H21BrO3/c1-17-12-4-3-5-14(9-12)19-10-11-8-13(18-2)6-7-15(11)16/h6-8,12,14H,3-5,9-10H2,1-2H3
InChIKeyCSLLCNYGYNDLSD-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.93
Rot. Bonds5

About 1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene

1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene (PubChem CID 65326385) has the molecular formula C15H21BrO3 and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene
PubChem CID65326385
Molecular FormulaC15H21BrO3
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene
SMILESCOc1ccc(Br)c(COC2CCCC(OC)C2)c1
InChIInChI=1S/C15H21BrO3/c1-17-12-4-3-5-14(9-12)19-10-11-8-13(18-2)6-7-15(11)16/h6-8,12,14H,3-5,9-10H2,1-2H3
InChIKeyCSLLCNYGYNDLSD-UHFFFAOYSA-N
XLogP3.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene
CID 65326433
[4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol
CID 106825540
4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 65323031
4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane
CID 113369276
2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene
CID 169291898
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene
CID 65202671
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647769
3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65326004
trans-(2S,6S)-2,6-bis[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-one
CID 95387471
2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine
CID 106994599

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene?
The IUPAC name of 1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene (CID 65326385) is 1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene.
What is the SMILES notation for 1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene?
The canonical SMILES for 1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene is COc1ccc(Br)c(COC2CCCC(OC)C2)c1.
What is the InChIKey of 1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene?
The InChIKey is CSLLCNYGYNDLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO3/c1-17-12-4-3-5-14(9-12)19-10-11-8-13(18-2)6-7-15(11)16/h6-8,12,14H,3-5,9-10H2,1-2H3.
What are the key properties of 1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene?
1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene has a molecular weight of 329.23 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene is sourced from PubChem (CID 65326385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).