3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol

C17H12ClFO2 — CID 60723029

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
SMILESOc1cc2ccccc2cc1OCc1c(F)cccc1Cl
InChIInChI=1S/C17H12ClFO2/c18-14-6-3-7-15(19)13(14)10-21-17-9-12-5-2-1-4-11(12)8-16(17)20/h1-9,20H,10H2
InChIKeyKXLHYHKXZVZBTQ-UHFFFAOYSA-N
MW302.73 g/mol
LogP4.92
Rot. Bonds3

About 3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol

3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol (PubChem CID 60723029) has the molecular formula C17H12ClFO2 and a molecular weight of 302.73 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
PubChem CID60723029
Molecular FormulaC17H12ClFO2
Molecular Weight302.73 g/mol
Exact Mass302.05
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
SMILESOc1cc2ccccc2cc1OCc1c(F)cccc1Cl
InChIInChI=1S/C17H12ClFO2/c18-14-6-3-7-15(19)13(14)10-21-17-9-12-5-2-1-4-11(12)8-16(17)20/h1-9,20H,10H2
InChIKeyKXLHYHKXZVZBTQ-UHFFFAOYSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol
CID 178141171
7-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
CID 63549722
2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76905309
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-fluorobenzene
CID 107691104
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane
CID 178141535
N-[[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680259
N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20989770
4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid
CID 61496257
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 170878344

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol (CID 60723029) is 3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol is Oc1cc2ccccc2cc1OCc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol?
The InChIKey is KXLHYHKXZVZBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFO2/c18-14-6-3-7-15(19)13(14)10-21-17-9-12-5-2-1-4-11(12)8-16(17)20/h1-9,20H,10H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol?
3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol has a molecular weight of 302.73 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol is sourced from PubChem (CID 60723029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).