3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol

C34H44F2OSi — CID 149428861

IUPAC3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol
SMILESCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc([Si](C)(C)CCCO)cc4)c(F)c3F)cc2)CC1
InChIInChI=1S/C34H44F2OSi/c1-4-5-6-8-25-9-11-26(12-10-25)27-13-15-28(16-14-27)31-21-22-32(34(36)33(31)35)29-17-19-30(20-18-29)38(2,3)24-7-23-37/h13-22,25-26,37H,4-12,23-24H2,1-3H3
InChIKeyYUQOKFWLMKTABE-UHFFFAOYSA-N
MW534.81 g/mol
LogP9.45
Rot. Bonds11

About 3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol

3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol (PubChem CID 149428861) has the molecular formula C34H44F2OSi and a molecular weight of 534.81 g/mol. Its IUPAC name is 3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol.

Molecular Properties

Compound Name3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol
PubChem CID149428861
Molecular FormulaC34H44F2OSi
Molecular Weight534.81 g/mol
Exact Mass534.31
IUPAC Name3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol
SMILESCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc([Si](C)(C)CCCO)cc4)c(F)c3F)cc2)CC1
InChIInChI=1S/C34H44F2OSi/c1-4-5-6-8-25-9-11-26(12-10-25)27-13-15-28(16-14-27)31-21-22-32(34(36)33(31)35)29-17-19-30(20-18-29)38(2,3)24-7-23-37/h13-22,25-26,37H,4-12,23-24H2,1-3H3
InChIKeyYUQOKFWLMKTABE-UHFFFAOYSA-N
XLogP9.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.81
LogP ≤ 59.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol with MolForge

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Related Compounds

3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol
CID 153276993
3-[[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-dimethylsilyl]propyl 2-(hydroxymethyl)prop-2-enoate
CID 153276964
1-[4-(4-butylcyclohexyl)phenyl]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118912527
2,3-difluoro-1-[4-(4-hexylcyclohexyl)phenyl]-4-octoxybenzene
CID 134358528
2,3-difluoro-1-octoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 14495692
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
2,3-difluoro-1-[4-(4-hexylcyclohexyl)phenyl]-4-propoxybenzene
CID 134358520
1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 134358618
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
2-(difluoromethyl)-1-ethyl-3-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 58953294

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol?
The IUPAC name of 3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol (CID 149428861) is 3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol.
What is the SMILES notation for 3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol?
The canonical SMILES for 3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol is CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc([Si](C)(C)CCCO)cc4)c(F)c3F)cc2)CC1.
What is the InChIKey of 3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol?
The InChIKey is YUQOKFWLMKTABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44F2OSi/c1-4-5-6-8-25-9-11-26(12-10-25)27-13-15-28(16-14-27)31-21-22-32(34(36)33(31)35)29-17-19-30(20-18-29)38(2,3)24-7-23-37/h13-22,25-26,37H,4-12,23-24H2,1-3H3.
What are the key properties of 3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol?
3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol has a molecular weight of 534.81 g/mol, XLogP of 9.45, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol is sourced from PubChem (CID 149428861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).