1-chloro-2-(methoxymethyl)benzene

C8H9ClO — CID 10975745

IUPAC1-chloro-2-(methoxymethyl)benzene
SMILESCOCc1ccccc1Cl
InChIInChI=1S/C8H9ClO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChIKeyVVGDMTFRMSXUJC-UHFFFAOYSA-N
MW156.61 g/mol
LogP2.49
Rot. Bonds2

About 1-chloro-2-(methoxymethyl)benzene

1-chloro-2-(methoxymethyl)benzene (PubChem CID 10975745) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is 1-chloro-2-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(methoxymethyl)benzene
PubChem CID10975745
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name1-chloro-2-(methoxymethyl)benzene
SMILESCOCc1ccccc1Cl
InChIInChI=1S/C8H9ClO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChIKeyVVGDMTFRMSXUJC-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl ethyl ether
CID 10873
Benzyl methyl ether
CID 10869
O-((3-chlorophenyl)methyl)hydroxylamine
CID 207300
4-Chlorostyrene oxide
CID 197010
Ether, bis(2,6-dichlorobenzyl)
CID 52735
2-(3-Chlorophenyl)oxirane
CID 155613
((3-Chloropropoxy)methyl)benzene
CID 221505
Benzyl 2-Chloroethyl Ether
CID 223538
2-Chlorobenzyl alcohol
CID 28810
Benzyl chloromethyl ether
CID 137983
1-(2-Chlorophenyl)ethanol
CID 26082
(3-Chloro-1-methoxypropyl)benzene
CID 97992

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(methoxymethyl)benzene?
The IUPAC name of 1-chloro-2-(methoxymethyl)benzene (CID 10975745) is 1-chloro-2-(methoxymethyl)benzene.
What is the SMILES notation for 1-chloro-2-(methoxymethyl)benzene?
The canonical SMILES for 1-chloro-2-(methoxymethyl)benzene is COCc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(methoxymethyl)benzene?
The InChIKey is VVGDMTFRMSXUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3.
What are the key properties of 1-chloro-2-(methoxymethyl)benzene?
1-chloro-2-(methoxymethyl)benzene has a molecular weight of 156.61 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(methoxymethyl)benzene is sourced from PubChem (CID 10975745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).