3-chloro-4-methoxynaphthalene-1,2-diol

C11H9ClO3 — CID 13478728

IUPAC3-chloro-4-methoxynaphthalene-1,2-diol
SMILESCOc1c(Cl)c(O)c(O)c2ccccc12
InChIInChI=1S/C11H9ClO3/c1-15-11-7-5-3-2-4-6(7)9(13)10(14)8(11)12/h2-5,13-14H,1H3
InChIKeyAORRCFUJTVDAJY-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.91
Rot. Bonds1

About 3-chloro-4-methoxynaphthalene-1,2-diol

3-chloro-4-methoxynaphthalene-1,2-diol (PubChem CID 13478728) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is 3-chloro-4-methoxynaphthalene-1,2-diol.

Molecular Properties

Compound Name3-chloro-4-methoxynaphthalene-1,2-diol
PubChem CID13478728
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name3-chloro-4-methoxynaphthalene-1,2-diol
SMILESCOc1c(Cl)c(O)c(O)c2ccccc12
InChIInChI=1S/C11H9ClO3/c1-15-11-7-5-3-2-4-6(7)9(13)10(14)8(11)12/h2-5,13-14H,1H3
InChIKeyAORRCFUJTVDAJY-UHFFFAOYSA-N
XLogP2.91
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-chloro-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)prop-2-enal
CID 89014768
(4-chloro-1-methoxynaphthalen-2-yl)boronic acid
CID 166475767
2,4-dimethoxynaphthalen-1-ol
CID 12563547
(4-hydroxy-2-methoxy-3-methylnaphthalen-1-yl) acetate
CID 19873003
3-chloro-4-(3-methylbut-2-enyl)naphthalene-1,2-diol
CID 71324698
(2E)-2-[(3-chloro-1,4-dimethoxynaphthalen-2-yl)methylidene]-3-methoxybutanoic acid
CID 68795977
2-chloro-3-methylsulfanylnaphthalene-1,4-diol
CID 163407165
3-hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one
CID 2755139
4-chloro-3-methoxybenzene-1,2-diol
CID 21449636
methyl 2-[(3-chloro-1,4-dimethoxynaphthalen-2-yl)methylidene]-4-methoxybutanoate
CID 68775221
ethane;1-methoxy-4-methylnaphthalen-2-ol
CID 142864573
4,9-dimethoxybenzo[f][1,3]benzodioxole
CID 12558262

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxynaphthalene-1,2-diol?
The IUPAC name of 3-chloro-4-methoxynaphthalene-1,2-diol (CID 13478728) is 3-chloro-4-methoxynaphthalene-1,2-diol.
What is the SMILES notation for 3-chloro-4-methoxynaphthalene-1,2-diol?
The canonical SMILES for 3-chloro-4-methoxynaphthalene-1,2-diol is COc1c(Cl)c(O)c(O)c2ccccc12.
What is the InChIKey of 3-chloro-4-methoxynaphthalene-1,2-diol?
The InChIKey is AORRCFUJTVDAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-15-11-7-5-3-2-4-6(7)9(13)10(14)8(11)12/h2-5,13-14H,1H3.
What are the key properties of 3-chloro-4-methoxynaphthalene-1,2-diol?
3-chloro-4-methoxynaphthalene-1,2-diol has a molecular weight of 224.64 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxynaphthalene-1,2-diol is sourced from PubChem (CID 13478728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).