1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol

C17H12ClFO2 — CID 11483494

IUPAC1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol
SMILESCOc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)cc1F
InChIInChI=1S/C17H12ClFO2/c1-21-16-7-4-11(9-14(16)19)10-2-5-13-12(8-10)3-6-15(20)17(13)18/h2-9,20H,1H3
InChIKeyYXNHEYLZUGHRCD-UHFFFAOYSA-N
MW302.73 g/mol
LogP5.01
Rot. Bonds2

About 1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol

1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol (PubChem CID 11483494) has the molecular formula C17H12ClFO2 and a molecular weight of 302.73 g/mol. Its IUPAC name is 1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol
PubChem CID11483494
Molecular FormulaC17H12ClFO2
Molecular Weight302.73 g/mol
Exact Mass302.05
IUPAC Name1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol
SMILESCOc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)cc1F
InChIInChI=1S/C17H12ClFO2/c1-21-16-7-4-11(9-14(16)19)10-2-5-13-12(8-10)3-6-15(20)17(13)18/h2-9,20H,1H3
InChIKeyYXNHEYLZUGHRCD-UHFFFAOYSA-N
XLogP5.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.73
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol (CID 11483494) is 1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol is COc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)cc1F.
What is the InChIKey of 1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol?
The InChIKey is YXNHEYLZUGHRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFO2/c1-21-16-7-4-11(9-14(16)19)10-2-5-13-12(8-10)3-6-15(20)17(13)18/h2-9,20H,1H3.
What are the key properties of 1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol?
1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol has a molecular weight of 302.73 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(3-fluoro-4-methoxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 11483494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).