(4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol

C16H13FO2S — CID 81123747

IUPAC(4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2ccc(F)c3ccccc23)c1
InChIInChI=1S/C16H13FO2S/c1-19-10-8-15(20-9-10)16(18)13-6-7-14(17)12-5-3-2-4-11(12)13/h2-9,16,18H,1H3
InChIKeyCSXSJHCQEHYWBK-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.13
Rot. Bonds3

About (4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol

(4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol (PubChem CID 81123747) has the molecular formula C16H13FO2S and a molecular weight of 288.34 g/mol. Its IUPAC name is (4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol
PubChem CID81123747
Molecular FormulaC16H13FO2S
Molecular Weight288.34 g/mol
Exact Mass288.06
IUPAC Name(4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2ccc(F)c3ccccc23)c1
InChIInChI=1S/C16H13FO2S/c1-19-10-8-15(20-9-10)16(18)13-6-7-14(17)12-5-3-2-4-11(12)13/h2-9,16,18H,1H3
InChIKeyCSXSJHCQEHYWBK-UHFFFAOYSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115794422
1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol
CID 114939531
(4-methoxythiophen-2-yl)-quinolin-5-ylmethanol
CID 115826281
(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115828533
(2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81123580
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
(3-fluorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114978494
2-[chloro-(4-methoxynaphthalen-1-yl)methyl]-4-methoxythiophene
CID 81118931
(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114982389
(5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118645
2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81128653
2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81129056

Frequently Asked Questions

What is the IUPAC name of (4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol?
The IUPAC name of (4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol (CID 81123747) is (4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol.
What is the SMILES notation for (4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol?
The canonical SMILES for (4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol is COc1csc(C(O)c2ccc(F)c3ccccc23)c1.
What is the InChIKey of (4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol?
The InChIKey is CSXSJHCQEHYWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2S/c1-19-10-8-15(20-9-10)16(18)13-6-7-14(17)12-5-3-2-4-11(12)13/h2-9,16,18H,1H3.
What are the key properties of (4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol?
(4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol has a molecular weight of 288.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol is sourced from PubChem (CID 81123747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).