1-chloro-3-(chloromethyl)-2-nonoxybenzene

C16H24Cl2O — CID 112613503

IUPAC1-chloro-3-(chloromethyl)-2-nonoxybenzene
SMILESCCCCCCCCCOc1c(Cl)cccc1CCl
InChIInChI=1S/C16H24Cl2O/c1-2-3-4-5-6-7-8-12-19-16-14(13-17)10-9-11-15(16)18/h9-11H,2-8,12-13H2,1H3
InChIKeyNIKULPOUKPJIQN-UHFFFAOYSA-N
MW303.27 g/mol
LogP6.21
Rot. Bonds10

About 1-chloro-3-(chloromethyl)-2-nonoxybenzene

1-chloro-3-(chloromethyl)-2-nonoxybenzene (PubChem CID 112613503) has the molecular formula C16H24Cl2O and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-chloro-3-(chloromethyl)-2-nonoxybenzene.

Molecular Properties

Compound Name1-chloro-3-(chloromethyl)-2-nonoxybenzene
PubChem CID112613503
Molecular FormulaC16H24Cl2O
Molecular Weight303.27 g/mol
Exact Mass302.12
IUPAC Name1-chloro-3-(chloromethyl)-2-nonoxybenzene
SMILESCCCCCCCCCOc1c(Cl)cccc1CCl
InChIInChI=1S/C16H24Cl2O/c1-2-3-4-5-6-7-8-12-19-16-14(13-17)10-9-11-15(16)18/h9-11H,2-8,12-13H2,1H3
InChIKeyNIKULPOUKPJIQN-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.27
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(3-chloro-2-octoxyphenyl)methanol
CID 112612718
1-(bromomethyl)-3-chloro-2-octoxybenzene
CID 112613741
1-(chloromethyl)-3-fluoro-2-nonoxybenzene
CID 112613670
1-(chloromethyl)-3-fluoro-2-octoxybenzene
CID 112613575
1-(chloromethyl)-3-methoxy-2-nonoxybenzene
CID 43471649
1-(chloromethyl)-2-decoxy-3-methoxybenzene
CID 63535867
1-(3-chloro-2-heptoxyphenyl)propan-2-amine
CID 112615606
1-chloro-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564283
1,3-dibromo-2-hexoxybenzene
CID 101293505
1,3-dichloro-2-(6-chlorohexoxy)benzene
CID 63499301
3-chloro-2-heptoxybenzoic acid
CID 112611877
1-chloro-9,10-didodecoxyanthracene
CID 139930048

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(chloromethyl)-2-nonoxybenzene?
The IUPAC name of 1-chloro-3-(chloromethyl)-2-nonoxybenzene (CID 112613503) is 1-chloro-3-(chloromethyl)-2-nonoxybenzene.
What is the SMILES notation for 1-chloro-3-(chloromethyl)-2-nonoxybenzene?
The canonical SMILES for 1-chloro-3-(chloromethyl)-2-nonoxybenzene is CCCCCCCCCOc1c(Cl)cccc1CCl.
What is the InChIKey of 1-chloro-3-(chloromethyl)-2-nonoxybenzene?
The InChIKey is NIKULPOUKPJIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2O/c1-2-3-4-5-6-7-8-12-19-16-14(13-17)10-9-11-15(16)18/h9-11H,2-8,12-13H2,1H3.
What are the key properties of 1-chloro-3-(chloromethyl)-2-nonoxybenzene?
1-chloro-3-(chloromethyl)-2-nonoxybenzene has a molecular weight of 303.27 g/mol, XLogP of 6.21, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(chloromethyl)-2-nonoxybenzene is sourced from PubChem (CID 112613503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).