7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol

C12H10ClFO3 — CID 169315137

IUPAC7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol
SMILESCOCOc1cc(O)c2c(F)c(Cl)ccc2c1
InChIInChI=1S/C12H10ClFO3/c1-16-6-17-8-4-7-2-3-9(13)12(14)11(7)10(15)5-8/h2-5,15H,6H2,1H3
InChIKeyMJNXKMOHJQYJIU-UHFFFAOYSA-N
MW256.66 g/mol
LogP3.32
Rot. Bonds3

About 7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol

7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol (PubChem CID 169315137) has the molecular formula C12H10ClFO3 and a molecular weight of 256.66 g/mol. Its IUPAC name is 7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol.

Molecular Properties

Compound Name7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol
PubChem CID169315137
Molecular FormulaC12H10ClFO3
Molecular Weight256.66 g/mol
Exact Mass256.03
IUPAC Name7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol
SMILESCOCOc1cc(O)c2c(F)c(Cl)ccc2c1
InChIInChI=1S/C12H10ClFO3/c1-16-6-17-8-4-7-2-3-9(13)12(14)11(7)10(15)5-8/h2-5,15H,6H2,1H3
InChIKeyMJNXKMOHJQYJIU-UHFFFAOYSA-N
XLogP3.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-6-methoxyphenanthren-9-ol
CID 14174933
1,4-Naphthalenediol, 6-chloro-2,3-dimethoxy-
CID 9816546
6-Butoxy-7-chloro-5-fluoronaphthalen-1-ol
CID 68223192
2-Fluoro-3-methoxynaphthalen-1-ol
CID 132145037
5-Chloro-6-fluoro-4-hydroxynaphthalen-2-yl acetate
CID 156117111
5,6-Difluoro-4-(methoxymethoxy)naphthalen-2-ol
CID 156117227
8-Chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl trifluoromethanesulfonate
CID 156117361
1-Chloro-2-fluoro-8-(methoxymethoxy)naphthalene
CID 156117431
5-Chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol
CID 156117457
5-Chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-yl acetate
CID 156117663
8-Ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-ol
CID 163222721
1-Chloro-6-fluoro-4-(methoxymethoxy)naphthalen-2-ol
CID 164521908

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol?
The IUPAC name of 7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol (CID 169315137) is 7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol.
What is the SMILES notation for 7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol?
The canonical SMILES for 7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol is COCOc1cc(O)c2c(F)c(Cl)ccc2c1.
What is the InChIKey of 7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol?
The InChIKey is MJNXKMOHJQYJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO3/c1-16-6-17-8-4-7-2-3-9(13)12(14)11(7)10(15)5-8/h2-5,15H,6H2,1H3.
What are the key properties of 7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol?
7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol has a molecular weight of 256.66 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol is sourced from PubChem (CID 169315137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).