1-chloro-3-methoxybenzene

C7H7ClO — CID 17833

IUPAC1-chloro-3-methoxybenzene
SMILESCOc1cccc(Cl)c1
InChIInChI=1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKeyYUKILTJWFRTXGB-UHFFFAOYSA-N
MW142.58 g/mol
LogP2.35
Rot. Bonds1

About 1-chloro-3-methoxybenzene

1-chloro-3-methoxybenzene (PubChem CID 17833) has the molecular formula C7H7ClO and a molecular weight of 142.58 g/mol. Its IUPAC name is 1-chloro-3-methoxybenzene.

Molecular Properties

Compound Name1-chloro-3-methoxybenzene
PubChem CID17833
Molecular FormulaC7H7ClO
Molecular Weight142.58 g/mol
Exact Mass142.02
IUPAC Name1-chloro-3-methoxybenzene
SMILESCOc1cccc(Cl)c1
InChIInChI=1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKeyYUKILTJWFRTXGB-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.58
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methoxybenzene?
The IUPAC name of 1-chloro-3-methoxybenzene (CID 17833) is 1-chloro-3-methoxybenzene.
What is the SMILES notation for 1-chloro-3-methoxybenzene?
The canonical SMILES for 1-chloro-3-methoxybenzene is COc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-methoxybenzene?
The InChIKey is YUKILTJWFRTXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3.
What are the key properties of 1-chloro-3-methoxybenzene?
1-chloro-3-methoxybenzene has a molecular weight of 142.58 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methoxybenzene is sourced from PubChem (CID 17833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).