[5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol

C14H15FO3 — CID 68516021

IUPAC[5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol
SMILESCOCc1oc(-c2ccc(F)cc2C)cc1CO
InChIInChI=1S/C14H15FO3/c1-9-5-11(15)3-4-12(9)13-6-10(7-16)14(18-13)8-17-2/h3-6,16H,7-8H2,1-2H3
InChIKeyLRXAJKHLYUSHCJ-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.03
Rot. Bonds4

About [5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol

[5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol (PubChem CID 68516021) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is [5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol
PubChem CID68516021
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name[5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol
SMILESCOCc1oc(-c2ccc(F)cc2C)cc1CO
InChIInChI=1S/C14H15FO3/c1-9-5-11(15)3-4-12(9)13-6-10(7-16)14(18-13)8-17-2/h3-6,16H,7-8H2,1-2H3
InChIKeyLRXAJKHLYUSHCJ-UHFFFAOYSA-N
XLogP3.03
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol?
The IUPAC name of [5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol (CID 68516021) is [5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol.
What is the SMILES notation for [5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol?
The canonical SMILES for [5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol is COCc1oc(-c2ccc(F)cc2C)cc1CO.
What is the InChIKey of [5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol?
The InChIKey is LRXAJKHLYUSHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO3/c1-9-5-11(15)3-4-12(9)13-6-10(7-16)14(18-13)8-17-2/h3-6,16H,7-8H2,1-2H3.
What are the key properties of [5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol?
[5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol has a molecular weight of 250.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)furan-3-yl]methanol is sourced from PubChem (CID 68516021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).