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

C17H13FO2 — CID 56648220

IUPAC6-(3-fluoro-4-methoxyphenyl)naphthalen-1-ol
SMILESCOc1ccc(-c2ccc3c(O)cccc3c2)cc1F
InChIInChI=1S/C17H13FO2/c1-20-17-8-6-12(10-15(17)18)11-5-7-14-13(9-11)3-2-4-16(14)19/h2-10,19H,1H3
InChIKeyXDGGDLHGFOGUDD-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.36
Rot. Bonds2

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

6-(3-fluoro-4-methoxyphenyl)naphthalen-1-ol (PubChem CID 56648220) has the molecular formula C17H13FO2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)naphthalen-1-ol.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)naphthalen-1-ol
PubChem CID56648220
Molecular FormulaC17H13FO2
Molecular Weight268.29 g/mol
Exact Mass268.09
IUPAC Name6-(3-fluoro-4-methoxyphenyl)naphthalen-1-ol
SMILESCOc1ccc(-c2ccc3c(O)cccc3c2)cc1F
InChIInChI=1S/C17H13FO2/c1-20-17-8-6-12(10-15(17)18)11-5-7-14-13(9-11)3-2-4-16(14)19/h2-10,19H,1H3
InChIKeyXDGGDLHGFOGUDD-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-Phenanthrol
CID 10229
1-Hydroxypyrene
CID 21387
4-Methoxy-1-naphthol
CID 66542
3-Phenanthrol
CID 95724
4-Methoxy-9,10-Dihydrophenanthrene-2,7-Diol
CID 11390848
1,4-Dimethoxyanthracene
CID 83107
Lusianthridin
CID 442702
2-Benzyl-1-naphthol
CID 160268
3-Hydroxybenzo(a)pyrene
CID 25890
6-Hydroxychrysene
CID 37766
1-Hydroxyphenanthrene
CID 98490
2,7-Dihydroxy-4,6-dimethoxyphenanthrene
CID 44572330

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)naphthalen-1-ol?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)naphthalen-1-ol (CID 56648220) is 6-(3-fluoro-4-methoxyphenyl)naphthalen-1-ol.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)naphthalen-1-ol?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)naphthalen-1-ol is COc1ccc(-c2ccc3c(O)cccc3c2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)naphthalen-1-ol?
The InChIKey is XDGGDLHGFOGUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO2/c1-20-17-8-6-12(10-15(17)18)11-5-7-14-13(9-11)3-2-4-16(14)19/h2-10,19H,1H3.
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)naphthalen-1-ol?
6-(3-fluoro-4-methoxyphenyl)naphthalen-1-ol has a molecular weight of 268.29 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)naphthalen-1-ol is sourced from PubChem (CID 56648220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).