2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol

C24H25FO4S — CID 146358751

IUPAC2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol
SMILESCc1cc(O)c(C2CC(O)CC(CO)O2)cc1Cc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H25FO4S/c1-14-8-22(28)21(23-12-18(27)11-19(13-26)29-23)10-16(14)9-20-6-7-24(30-20)15-2-4-17(25)5-3-15/h2-8,10,18-19,23,26-28H,9,11-13H2,1H3
InChIKeyCDYCHGPDDWRRTD-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.73
Rot. Bonds5

About 2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol

2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol (PubChem CID 146358751) has the molecular formula C24H25FO4S and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Name2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol
PubChem CID146358751
Molecular FormulaC24H25FO4S
Molecular Weight428.53 g/mol
Exact Mass428.15
IUPAC Name2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol
SMILESCc1cc(O)c(C2CC(O)CC(CO)O2)cc1Cc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H25FO4S/c1-14-8-22(28)21(23-12-18(27)11-19(13-26)29-23)10-16(14)9-20-6-7-24(30-20)15-2-4-17(25)5-3-15/h2-8,10,18-19,23,26-28H,9,11-13H2,1H3
InChIKeyCDYCHGPDDWRRTD-UHFFFAOYSA-N
XLogP4.73
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde
CID 144864989
2-[3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-5-methylphenol
CID 123851175
2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol
CID 145103780
(2R,3S,4R,6R)-4-ethyl-6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-2-(hydroxymethyl)oxan-3-ol
CID 144753931
2-[4-fluoro-2-methoxy-5-[(5-methylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol
CID 142940062
(2S,3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169435610
(2S,3S,4S,5R,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124604763
(2S,3R,5S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70971378
(2S,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66576978
2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;hydrate
CID 77158882
(2R,6S)-2-[4-chloro-3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxan-4-one
CID 118973966
2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-methyloxan-3-ol
CID 118458003

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol?
The IUPAC name of 2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol (CID 146358751) is 2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for 2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol?
The canonical SMILES for 2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol is Cc1cc(O)c(C2CC(O)CC(CO)O2)cc1Cc1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol?
The InChIKey is CDYCHGPDDWRRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FO4S/c1-14-8-22(28)21(23-12-18(27)11-19(13-26)29-23)10-16(14)9-20-6-7-24(30-20)15-2-4-17(25)5-3-15/h2-8,10,18-19,23,26-28H,9,11-13H2,1H3.
What are the key properties of 2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol?
2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol has a molecular weight of 428.53 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 146358751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).