4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol

C25H25F3O3 — CID 159288988

IUPAC4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol
SMILESCc1ccc(COc2cc(CCCCO)cc(OCc3ccc(F)cc3F)c2)c(F)c1
InChIInChI=1S/C25H25F3O3/c1-17-5-6-19(24(27)10-17)15-30-22-11-18(4-2-3-9-29)12-23(14-22)31-16-20-7-8-21(26)13-25(20)28/h5-8,10-14,29H,2-4,9,15-16H2,1H3
InChIKeyURCZCNMEYZDFRD-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.89
Rot. Bonds10

About 4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol

4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol (PubChem CID 159288988) has the molecular formula C25H25F3O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol.

Molecular Properties

Compound Name4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol
PubChem CID159288988
Molecular FormulaC25H25F3O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol
SMILESCc1ccc(COc2cc(CCCCO)cc(OCc3ccc(F)cc3F)c2)c(F)c1
InChIInChI=1S/C25H25F3O3/c1-17-5-6-19(24(27)10-17)15-30-22-11-18(4-2-3-9-29)12-23(14-22)31-16-20-7-8-21(26)13-25(20)28/h5-8,10-14,29H,2-4,9,15-16H2,1H3
InChIKeyURCZCNMEYZDFRD-UHFFFAOYSA-N
XLogP5.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
4-[3,4-bis[(4-methylphenyl)methoxy]phenyl]butan-1-amine;4-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-amine;4-[4-[(4-fluorophenyl)methoxy]-3-[(4-methylphenyl)methoxy]phenyl]butan-1-amine
CID 160724233
4-(4-fluoro-2-methylphenyl)butan-1-ol
CID 54363918
1-ethyl-4-[(2-fluoro-4-methylphenyl)methoxy]pyridin-1-ium iodide
CID 160684037
1-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]-4-methylpent-4-en-1-one
CID 142835435
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719182
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethanol
CID 62196202
4-[(2,4-difluorophenyl)methoxy]-1-(4-methylphenyl)pyridin-2-one
CID 141203521
[3-fluoro-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877142
1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
[3-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]methanol
CID 114850200
6-[3-[[3-ethyl-5-[[3-hexoxy-5-(6-hydroxyhexyl)phenyl]methoxy]phenoxy]methyl]-5-hexoxyphenyl]hexan-1-ol
CID 162478349

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol?
The IUPAC name of 4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol (CID 159288988) is 4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol.
What is the SMILES notation for 4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol?
The canonical SMILES for 4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol is Cc1ccc(COc2cc(CCCCO)cc(OCc3ccc(F)cc3F)c2)c(F)c1.
What is the InChIKey of 4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol?
The InChIKey is URCZCNMEYZDFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3O3/c1-17-5-6-19(24(27)10-17)15-30-22-11-18(4-2-3-9-29)12-23(14-22)31-16-20-7-8-21(26)13-25(20)28/h5-8,10-14,29H,2-4,9,15-16H2,1H3.
What are the key properties of 4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol?
4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol has a molecular weight of 430.47 g/mol, XLogP of 5.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,4-difluorophenyl)methoxy]-5-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-ol is sourced from PubChem (CID 159288988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).