(3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol

C23H18FNO2 — CID 25131497

IUPAC(3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol
SMILESCOc1ccc(C(O)c2cc3ccccc3cc2-c2cccnc2)cc1F
InChIInChI=1S/C23H18FNO2/c1-27-22-9-8-17(13-21(22)24)23(26)20-12-16-6-3-2-5-15(16)11-19(20)18-7-4-10-25-14-18/h2-14,23,26H,1H3
InChIKeyKSGVSOSHLHWIHO-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.13
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol

(3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol (PubChem CID 25131497) has the molecular formula C23H18FNO2 and a molecular weight of 359.40 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol
PubChem CID25131497
Molecular FormulaC23H18FNO2
Molecular Weight359.40 g/mol
Exact Mass359.13
IUPAC Name(3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol
SMILESCOc1ccc(C(O)c2cc3ccccc3cc2-c2cccnc2)cc1F
InChIInChI=1S/C23H18FNO2/c1-27-22-9-8-17(13-21(22)24)23(26)20-12-16-6-3-2-5-15(16)11-19(20)18-7-4-10-25-14-18/h2-14,23,26H,1H3
InChIKeyKSGVSOSHLHWIHO-UHFFFAOYSA-N
XLogP5.13
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-Methoxynaphthalen-2-yl)isoquinoline
CID 24754344
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
5-(3-Fluoro-4-methoxyphenyl)-1-(pyridin-4-yl)-2,3-dihydro-1H-inden-1-ol
CID 25033651
6-(3-Fluoro-4-methoxyphenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033731
2-Fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 25033811
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
CID 46901929
2-Fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]phenol
CID 25033805
5-(6-Methoxynaphthalen-2-yl)pyridin-3-ol
CID 25034344
3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine
CID 25034426
4-(6-Methoxy-3-methylnaphthalen-2-yl)isoquinoline
CID 25034427

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol (CID 25131497) is (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol is COc1ccc(C(O)c2cc3ccccc3cc2-c2cccnc2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol?
The InChIKey is KSGVSOSHLHWIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO2/c1-27-22-9-8-17(13-21(22)24)23(26)20-12-16-6-3-2-5-15(16)11-19(20)18-7-4-10-25-14-18/h2-14,23,26H,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol?
(3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol has a molecular weight of 359.40 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanol is sourced from PubChem (CID 25131497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).