2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol

C20H25F3O3 — CID 143875077

IUPAC2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol
SMILESC=C(/C=C(/F)C(=C)C(C)CCC(C)COc1ccc(O)c(F)c1F)OC
InChIInChI=1S/C20H25F3O3/c1-12(11-26-18-9-8-17(24)19(22)20(18)23)6-7-13(2)15(4)16(21)10-14(3)25-5/h8-10,12-13,24H,3-4,6-7,11H2,1-2,5H3/b16-10+
InChIKeyYRTBSIAONNRVDV-MHWRWJLKSA-N
MW370.41 g/mol
LogP5.67
Rot. Bonds10

About 2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol

2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol (PubChem CID 143875077) has the molecular formula C20H25F3O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol.

Molecular Properties

Compound Name2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol
PubChem CID143875077
Molecular FormulaC20H25F3O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol
SMILESC=C(/C=C(/F)C(=C)C(C)CCC(C)COc1ccc(O)c(F)c1F)OC
InChIInChI=1S/C20H25F3O3/c1-12(11-26-18-9-8-17(24)19(22)20(18)23)6-7-13(2)15(4)16(21)10-14(3)25-5/h8-10,12-13,24H,3-4,6-7,11H2,1-2,5H3/b16-10+
InChIKeyYRTBSIAONNRVDV-MHWRWJLKSA-N
XLogP5.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[(7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]-2,3-difluorophenol
CID 143875320
1-[(7Z)-7,8-difluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]-4-(4-ethoxycyclohexyl)-2,3-difluorobenzene;prop-1-ene
CID 143908726
1-[(7E)-9-ethoxy-8-fluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]-2,3-difluoro-4-[(E)-prop-1-enyl]benzene
CID 143875234
1-[(7Z)-7,8-difluoro-2,5,9-trimethyl-6-methylidenedeca-7,9-dienoxy]-2-fluoro-4-methylbenzene
CID 143875246
4-[7-[2,3-difluoro-4-(6-methylundecan-3-yl)phenoxy]-6-methylheptan-3-yl]-2,3-difluorophenol
CID 70946154
1-ethenyl-4-[(8E)-10-ethoxy-8-fluoro-3,6-dimethyl-7-methylideneundeca-8,10-dienyl]-2,3-difluorobenzene
CID 143875043
2,3-difluoro-4-(2-fluorobutoxy)phenol
CID 148965171
1-[(8Z)-8,9-difluoro-10-methoxy-3,6-dimethyl-7-methylideneundeca-8,10-dienyl]-2,3-difluoro-4-methoxybenzene
CID 143875352
[2,3-difluoro-4-(2-methylhexoxy)phenyl]boronic acid
CID 21477966
prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875383
1-(2,5-dimethylhexoxy)-2,3-difluoro-4-(4-methylphenyl)benzene
CID 143776964
4-[(3Z,7Z)-9-ethoxy-7,8-difluoro-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorophenol
CID 143875307

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol?
The IUPAC name of 2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol (CID 143875077) is 2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol.
What is the SMILES notation for 2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol?
The canonical SMILES for 2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol is C=C(/C=C(/F)C(=C)C(C)CCC(C)COc1ccc(O)c(F)c1F)OC.
What is the InChIKey of 2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol?
The InChIKey is YRTBSIAONNRVDV-MHWRWJLKSA-N. The full InChI is InChI=1S/C20H25F3O3/c1-12(11-26-18-9-8-17(24)19(22)20(18)23)6-7-13(2)15(4)16(21)10-14(3)25-5/h8-10,12-13,24H,3-4,6-7,11H2,1-2,5H3/b16-10+.
What are the key properties of 2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol?
2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol has a molecular weight of 370.41 g/mol, XLogP of 5.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[(7E)-7-fluoro-9-methoxy-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]phenol is sourced from PubChem (CID 143875077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).