CID 164823730

C23H32F2O — CID 164823730

IUPAC—
SMILESCCCC1CC[C](C2CC[C](c3ccc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C23H32F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h14-16,18H,3-13H2,1-2H3
InChIKeyCUMWYGVNBPLIGB-UHFFFAOYSA-N
MW362.50 g/mol
LogP7.04
Rot. Bonds6

About CID 164823730

CID 164823730 (PubChem CID 164823730) has the molecular formula C23H32F2O and a molecular weight of 362.50 g/mol.

Molecular Properties

Compound NameCID 164823730
PubChem CID164823730
Molecular FormulaC23H32F2O
Molecular Weight362.50 g/mol
Exact Mass362.24
IUPAC Name—
SMILESCCCC1CC[C](C2CC[C](c3ccc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C23H32F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h14-16,18H,3-13H2,1-2H3
InChIKeyCUMWYGVNBPLIGB-UHFFFAOYSA-N
XLogP7.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 170655048
CID 170655048
1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
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
1-ethoxy-2,3-difluoro-4-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)phenyl]benzene
CID 58953404
CID 177267220
CID 177267220
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
1-ethoxy-2,3-difluoro-4-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]phenyl]benzene
CID 154607093
3-(difluoromethyl)-1-ethoxy-2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23159713
1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene
CID 58555645
1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 168776499
2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene
CID 153282428

Frequently Asked Questions

What is the IUPAC name of CID 164823730?
The IUPAC name of CID 164823730 (CID 164823730) is not available.
What is the SMILES notation for CID 164823730?
The canonical SMILES for CID 164823730 is CCCC1CC[C](C2CC[C](c3ccc(OCC)c(F)c3F)CC2)CC1.
What is the InChIKey of CID 164823730?
The InChIKey is CUMWYGVNBPLIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h14-16,18H,3-13H2,1-2H3.
What are the key properties of CID 164823730?
CID 164823730 has a molecular weight of 362.50 g/mol, XLogP of 7.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164823730 is sourced from PubChem (CID 164823730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).