[2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone

C15H13FO4 — CID 68987705

IUPAC[2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(O)cc(CO)cc2F)cc1
InChIInChI=1S/C15H13FO4/c1-20-11-4-2-10(3-5-11)15(19)14-12(16)6-9(8-17)7-13(14)18/h2-7,17-18H,8H2,1H3
InChIKeyABQDNFAXWKIDMW-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.26
Rot. Bonds4

About [2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone

[2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone (PubChem CID 68987705) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is [2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone
PubChem CID68987705
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name[2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(O)cc(CO)cc2F)cc1
InChIInChI=1S/C15H13FO4/c1-20-11-4-2-10(3-5-11)15(19)14-12(16)6-9(8-17)7-13(14)18/h2-7,17-18H,8H2,1H3
InChIKeyABQDNFAXWKIDMW-UHFFFAOYSA-N
XLogP2.26
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(2,6-difluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 54880508
(5-fluoro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone
CID 10354543
[3-tert-butyl-5-(4-methoxybenzoyl)phenyl]-[4-(hydroxymethyl)phenyl]methanone
CID 90132217
(2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 95165164
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
(4-methoxyphenyl)methanol
CID 7738
[4-(4-methoxyphenoxy)phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone;vanadium
CID 157190670
(4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone
CID 67575174
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
1-[3-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione
CID 153485063

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone (CID 68987705) is [2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(O)cc(CO)cc2F)cc1.
What is the InChIKey of [2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone?
The InChIKey is ABQDNFAXWKIDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-20-11-4-2-10(3-5-11)15(19)14-12(16)6-9(8-17)7-13(14)18/h2-7,17-18H,8H2,1H3.
What are the key properties of [2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone?
[2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone has a molecular weight of 276.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-hydroxy-4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 68987705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).