CID 170655048

C26H36F2O — CID 170655048

IUPAC—
SMILESCCOc1ccc([C]2CCC([C]3CCC(CCC4CCC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C26H36F2O/c1-2-29-24-17-16-23(25(27)26(24)28)22-14-12-21(13-15-22)20-10-8-19(9-11-20)7-6-18-4-3-5-18/h16-19,21H,2-15H2,1H3
InChIKeyGUFOFSWYHACEQJ-UHFFFAOYSA-N
MW402.57 g/mol
LogP7.82
Rot. Bonds7

About CID 170655048

CID 170655048 (PubChem CID 170655048) has the molecular formula C26H36F2O and a molecular weight of 402.57 g/mol.

Molecular Properties

Compound NameCID 170655048
PubChem CID170655048
Molecular FormulaC26H36F2O
Molecular Weight402.57 g/mol
Exact Mass402.27
IUPAC Name—
SMILESCCOc1ccc([C]2CCC([C]3CCC(CCC4CCC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C26H36F2O/c1-2-29-24-17-16-23(25(27)26(24)28)22-14-12-21(13-15-22)20-10-8-19(9-11-20)7-6-18-4-3-5-18/h16-19,21H,2-15H2,1H3
InChIKeyGUFOFSWYHACEQJ-UHFFFAOYSA-N
XLogP7.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 164823730
CID 164823730
1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
CID 177267220
CID 177267220
1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 168776499
1-[4-[4-[2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethyl]cyclohexyl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 58453624
1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 58953361
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
CID 59875928
CID 59875928
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
1-ethoxy-2,3-difluoro-4-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)phenyl]benzene
CID 58953404
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine
CID 131994381
2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 142297541

Frequently Asked Questions

What is the IUPAC name of CID 170655048?
The IUPAC name of CID 170655048 (CID 170655048) is not available.
What is the SMILES notation for CID 170655048?
The canonical SMILES for CID 170655048 is CCOc1ccc([C]2CCC([C]3CCC(CCC4CCC4)CC3)CC2)c(F)c1F.
What is the InChIKey of CID 170655048?
The InChIKey is GUFOFSWYHACEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36F2O/c1-2-29-24-17-16-23(25(27)26(24)28)22-14-12-21(13-15-22)20-10-8-19(9-11-20)7-6-18-4-3-5-18/h16-19,21H,2-15H2,1H3.
What are the key properties of CID 170655048?
CID 170655048 has a molecular weight of 402.57 g/mol, XLogP of 7.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170655048 is sourced from PubChem (CID 170655048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).