1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene

C13H19ClO3 — CID 54958015

IUPAC1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene
SMILESCOc1ccc(CCl)c(OCCOC(C)C)c1
InChIInChI=1S/C13H19ClO3/c1-10(2)16-6-7-17-13-8-12(15-3)5-4-11(13)9-14/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyVEJRZKOUJNUZCX-UHFFFAOYSA-N
MW258.74 g/mol
LogP3.24
Rot. Bonds7

About 1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene

1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene (PubChem CID 54958015) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is 1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene
PubChem CID54958015
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene
SMILESCOc1ccc(CCl)c(OCCOC(C)C)c1
InChIInChI=1S/C13H19ClO3/c1-10(2)16-6-7-17-13-8-12(15-3)5-4-11(13)9-14/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyVEJRZKOUJNUZCX-UHFFFAOYSA-N
XLogP3.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 54957551
N-[[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61484961
1-(chloromethyl)-4-methoxy-2-(2-methylpropoxy)benzene
CID 61268907
1-(chloromethyl)-2-decoxy-4-methoxybenzene
CID 63534859
1-(chloromethyl)-4-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 61490544
1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022
N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63061280
N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61485354
1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene
CID 61267808
1-(bromomethyl)-4-methoxy-2-(3-methylbutoxy)benzene
CID 61269278
1-(chloromethyl)-3-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54957914
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine
CID 62700508

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene?
The IUPAC name of 1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene (CID 54958015) is 1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene.
What is the SMILES notation for 1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene?
The canonical SMILES for 1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene is COc1ccc(CCl)c(OCCOC(C)C)c1.
What is the InChIKey of 1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene?
The InChIKey is VEJRZKOUJNUZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3/c1-10(2)16-6-7-17-13-8-12(15-3)5-4-11(13)9-14/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene?
1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene has a molecular weight of 258.74 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene is sourced from PubChem (CID 54958015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).