1-[chloro(methoxy)methyl]-4-methoxybenzene

C9H11ClO2 — CID 15657443

IUPAC1-[chloro(methoxy)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)OC)cc1
InChIInChI=1S/C9H11ClO2/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6,9H,1-2H3
InChIKeyJOZQAIYADZDYGX-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.58
Rot. Bonds3

About 1-[chloro(methoxy)methyl]-4-methoxybenzene

1-[chloro(methoxy)methyl]-4-methoxybenzene (PubChem CID 15657443) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-[chloro(methoxy)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[chloro(methoxy)methyl]-4-methoxybenzene
PubChem CID15657443
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name1-[chloro(methoxy)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)OC)cc1
InChIInChI=1S/C9H11ClO2/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6,9H,1-2H3
InChIKeyJOZQAIYADZDYGX-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.58
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-(1-chloro-2-methylpropyl)-4-methoxybenzene
CID 61081165
chloro-(4-methoxyphenyl)methanol
CID 130923369
1-[(1S,4R)-1,4-dichloro-4-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 125465408
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
(4-methoxyphenyl)methanedithiol
CID 19893185
(1S)-1-chloro-1-(4-methoxyphenyl)propan-2-one
CID 86318456
1-[chloro(cyclopropyl)methyl]-4-methoxybenzene
CID 61081177
1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene
CID 61085205
1-(1-chloro-3,3-dimethylbutyl)-4-methoxybenzene
CID 63429185
2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893
(1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
CID 172635703

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(methoxy)methyl]-4-methoxybenzene?
The IUPAC name of 1-[chloro(methoxy)methyl]-4-methoxybenzene (CID 15657443) is 1-[chloro(methoxy)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[chloro(methoxy)methyl]-4-methoxybenzene?
The canonical SMILES for 1-[chloro(methoxy)methyl]-4-methoxybenzene is COc1ccc(C(Cl)OC)cc1.
What is the InChIKey of 1-[chloro(methoxy)methyl]-4-methoxybenzene?
The InChIKey is JOZQAIYADZDYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6,9H,1-2H3.
What are the key properties of 1-[chloro(methoxy)methyl]-4-methoxybenzene?
1-[chloro(methoxy)methyl]-4-methoxybenzene has a molecular weight of 186.64 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(methoxy)methyl]-4-methoxybenzene is sourced from PubChem (CID 15657443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).