1,3-difluoro-2-octoxy-5-phenylbenzene

C20H24F2O — CID 15176798

IUPAC1,3-difluoro-2-octoxy-5-phenylbenzene
SMILESCCCCCCCCOc1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C20H24F2O/c1-2-3-4-5-6-10-13-23-20-18(21)14-17(15-19(20)22)16-11-8-7-9-12-16/h7-9,11-12,14-15H,2-6,10,13H2,1H3
InChIKeyZRQHTTFMLORUNK-UHFFFAOYSA-N
MW318.41 g/mol
LogP6.37
Rot. Bonds9

About 1,3-difluoro-2-octoxy-5-phenylbenzene

1,3-difluoro-2-octoxy-5-phenylbenzene (PubChem CID 15176798) has the molecular formula C20H24F2O and a molecular weight of 318.41 g/mol. Its IUPAC name is 1,3-difluoro-2-octoxy-5-phenylbenzene.

Molecular Properties

Compound Name1,3-difluoro-2-octoxy-5-phenylbenzene
PubChem CID15176798
Molecular FormulaC20H24F2O
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name1,3-difluoro-2-octoxy-5-phenylbenzene
SMILESCCCCCCCCOc1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C20H24F2O/c1-2-3-4-5-6-10-13-23-20-18(21)14-17(15-19(20)22)16-11-8-7-9-12-16/h7-9,11-12,14-15H,2-6,10,13H2,1H3
InChIKeyZRQHTTFMLORUNK-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.41
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5,6-hexakis(4-decoxy-3,5-difluorophenyl)benzene
CID 101373438
2-butoxy-1,3-difluoro-5-[4-(4-methylphenyl)phenyl]benzene
CID 145222957
2-butoxy-1,3-difluoro-5-(4-pentylphenyl)benzene
CID 67842427
3,5-difluoro-4-hexoxybenzenethiol
CID 91657934
3,5-difluoro-4-hexoxybenzoic acid
CID 63183875
1,1'-biphenyl;hexadecane
CID 173308514
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
5-(bromomethyl)-1,3-difluoro-2-hexoxybenzene
CID 79887890
5-(bromomethyl)-2-decoxy-1,3-difluorobenzene
CID 79881356
9,10-dioctoxyanthracene
CID 21304201
1-pentoxy-4-phenylbenzene
CID 7021155
2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
CID 19430958

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-octoxy-5-phenylbenzene?
The IUPAC name of 1,3-difluoro-2-octoxy-5-phenylbenzene (CID 15176798) is 1,3-difluoro-2-octoxy-5-phenylbenzene.
What is the SMILES notation for 1,3-difluoro-2-octoxy-5-phenylbenzene?
The canonical SMILES for 1,3-difluoro-2-octoxy-5-phenylbenzene is CCCCCCCCOc1c(F)cc(-c2ccccc2)cc1F.
What is the InChIKey of 1,3-difluoro-2-octoxy-5-phenylbenzene?
The InChIKey is ZRQHTTFMLORUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2O/c1-2-3-4-5-6-10-13-23-20-18(21)14-17(15-19(20)22)16-11-8-7-9-12-16/h7-9,11-12,14-15H,2-6,10,13H2,1H3.
What are the key properties of 1,3-difluoro-2-octoxy-5-phenylbenzene?
1,3-difluoro-2-octoxy-5-phenylbenzene has a molecular weight of 318.41 g/mol, XLogP of 6.37, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-octoxy-5-phenylbenzene is sourced from PubChem (CID 15176798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).