1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene

C22H26Cl2O2 — CID 22416597

IUPAC1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene
SMILESClCc1ccc(OCC2CCC(COc3ccc(CCl)cc3)CC2)cc1
InChIInChI=1S/C22H26Cl2O2/c23-13-17-5-9-21(10-6-17)25-15-19-1-2-20(4-3-19)16-26-22-11-7-18(14-24)8-12-22/h5-12,19-20H,1-4,13-16H2
InChIKeyFZIYVKUYQQNHAL-UHFFFAOYSA-N
MW393.35 g/mol
LogP6.43
Rot. Bonds8

About 1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene

1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene (PubChem CID 22416597) has the molecular formula C22H26Cl2O2 and a molecular weight of 393.35 g/mol. Its IUPAC name is 1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene
PubChem CID22416597
Molecular FormulaC22H26Cl2O2
Molecular Weight393.35 g/mol
Exact Mass392.13
IUPAC Name1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene
SMILESClCc1ccc(OCC2CCC(COc3ccc(CCl)cc3)CC2)cc1
InChIInChI=1S/C22H26Cl2O2/c23-13-17-5-9-21(10-6-17)25-15-19-1-2-20(4-3-19)16-26-22-11-7-18(14-24)8-12-22/h5-12,19-20H,1-4,13-16H2
InChIKeyFZIYVKUYQQNHAL-UHFFFAOYSA-N
XLogP6.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.35
LogP ≤ 56.43
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

4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117313353
cyclopropylmethoxybenzene
CID 12712156
1-(bromomethyl)-4-(cyclopentylmethoxy)benzene
CID 61343018
1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296328
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
(4-ethylphenoxy)methylcycloheptane
CID 142027305
1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene
CID 10340152
1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene
CID 59982551
(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120833880

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene?
The IUPAC name of 1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene (CID 22416597) is 1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene.
What is the SMILES notation for 1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene?
The canonical SMILES for 1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene is ClCc1ccc(OCC2CCC(COc3ccc(CCl)cc3)CC2)cc1.
What is the InChIKey of 1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene?
The InChIKey is FZIYVKUYQQNHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2O2/c23-13-17-5-9-21(10-6-17)25-15-19-1-2-20(4-3-19)16-26-22-11-7-18(14-24)8-12-22/h5-12,19-20H,1-4,13-16H2.
What are the key properties of 1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene?
1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene has a molecular weight of 393.35 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene is sourced from PubChem (CID 22416597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).