1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride

C18H23ClO3 — CID 67583384

IUPAC1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
SMILESCOCc1ccc(COCc2ccc(COC)cc2)cc1.Cl
InChIInChI=1S/C18H22O3.ClH/c1-19-11-15-3-7-17(8-4-15)13-21-14-18-9-5-16(6-10-18)12-20-2;/h3-10H,11-14H2,1-2H3;1H
InChIKeyDFTCEPKCUVBRMV-UHFFFAOYSA-N
MW322.83 g/mol
LogP4.12
Rot. Bonds8

About 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride

1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride (PubChem CID 67583384) has the molecular formula C18H23ClO3 and a molecular weight of 322.83 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride.

Molecular Properties

Compound Name1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
PubChem CID67583384
Molecular FormulaC18H23ClO3
Molecular Weight322.83 g/mol
Exact Mass322.13
IUPAC Name1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
SMILESCOCc1ccc(COCc2ccc(COC)cc2)cc1.Cl
InChIInChI=1S/C18H22O3.ClH/c1-19-11-15-3-7-17(8-4-15)13-21-14-18-9-5-16(6-10-18)12-20-2;/h3-10H,11-14H2,1-2H3;1H
InChIKeyDFTCEPKCUVBRMV-UHFFFAOYSA-N
XLogP4.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
[4-(methoxymethyl)phenyl]methanamine;dihydrochloride
CID 133054354
1,4-bis(methoxymethoxymethyl)benzene
CID 121009952
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
N,N-dihydroxy-4-(methoxymethyl)aniline
CID 90693796
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
1-(methoxymethoxy)-4-(methoxymethyl)benzene
CID 59017141
1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane
CID 159228016

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride?
The IUPAC name of 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride (CID 67583384) is 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride.
What is the SMILES notation for 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride?
The canonical SMILES for 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride is COCc1ccc(COCc2ccc(COC)cc2)cc1.Cl.
What is the InChIKey of 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride?
The InChIKey is DFTCEPKCUVBRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3.ClH/c1-19-11-15-3-7-17(8-4-15)13-21-14-18-9-5-16(6-10-18)12-20-2;/h3-10H,11-14H2,1-2H3;1H.
What are the key properties of 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride?
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride has a molecular weight of 322.83 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride is sourced from PubChem (CID 67583384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).