1-chloro-7-methoxy-3-methylnaphthalene

C12H11ClO — CID 10703511

IUPAC1-chloro-7-methoxy-3-methylnaphthalene
SMILESCOc1ccc2cc(C)cc(Cl)c2c1
InChIInChI=1S/C12H11ClO/c1-8-5-9-3-4-10(14-2)7-11(9)12(13)6-8/h3-7H,1-2H3
InChIKeyGAVQYHIDASJRHP-UHFFFAOYSA-N
MW206.67 g/mol
LogP3.81
Rot. Bonds1

About 1-chloro-7-methoxy-3-methylnaphthalene

1-chloro-7-methoxy-3-methylnaphthalene (PubChem CID 10703511) has the molecular formula C12H11ClO and a molecular weight of 206.67 g/mol. Its IUPAC name is 1-chloro-7-methoxy-3-methylnaphthalene.

Molecular Properties

Compound Name1-chloro-7-methoxy-3-methylnaphthalene
PubChem CID10703511
Molecular FormulaC12H11ClO
Molecular Weight206.67 g/mol
Exact Mass206.05
IUPAC Name1-chloro-7-methoxy-3-methylnaphthalene
SMILESCOc1ccc2cc(C)cc(Cl)c2c1
InChIInChI=1S/C12H11ClO/c1-8-5-9-3-4-10(14-2)7-11(9)12(13)6-8/h3-7H,1-2H3
InChIKeyGAVQYHIDASJRHP-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-methoxy-3-methylnaphthalene?
The IUPAC name of 1-chloro-7-methoxy-3-methylnaphthalene (CID 10703511) is 1-chloro-7-methoxy-3-methylnaphthalene.
What is the SMILES notation for 1-chloro-7-methoxy-3-methylnaphthalene?
The canonical SMILES for 1-chloro-7-methoxy-3-methylnaphthalene is COc1ccc2cc(C)cc(Cl)c2c1.
What is the InChIKey of 1-chloro-7-methoxy-3-methylnaphthalene?
The InChIKey is GAVQYHIDASJRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO/c1-8-5-9-3-4-10(14-2)7-11(9)12(13)6-8/h3-7H,1-2H3.
What are the key properties of 1-chloro-7-methoxy-3-methylnaphthalene?
1-chloro-7-methoxy-3-methylnaphthalene has a molecular weight of 206.67 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-methoxy-3-methylnaphthalene is sourced from PubChem (CID 10703511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).