ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene

C17H21FO — CID 176690950

IUPACethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
SMILESCC.CCc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C15H15FO.C2H6/c1-2-12-5-4-8-15(10-12)17-11-13-6-3-7-14(16)9-13;1-2/h3-10H,2,11H2,1H3;1-2H3
InChIKeyRHQCUKAHZDTXIN-UHFFFAOYSA-N
MW260.35 g/mol
LogP4.99
Rot. Bonds4

About ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene

ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene (PubChem CID 176690950) has the molecular formula C17H21FO and a molecular weight of 260.35 g/mol. Its IUPAC name is ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Nameethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
PubChem CID176690950
Molecular FormulaC17H21FO
Molecular Weight260.35 g/mol
Exact Mass260.16
IUPAC Nameethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
SMILESCC.CCc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C15H15FO.C2H6/c1-2-12-5-4-8-15(10-12)17-11-13-6-3-7-14(16)9-13;1-2/h3-10H,2,11H2,1H3;1-2H3
InChIKeyRHQCUKAHZDTXIN-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene
CID 107888345
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
3-[(3-fluorophenyl)methoxy]benzenethiol
CID 149048494
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
3-[(3-fluorophenyl)methoxy]benzonitrile
CID 27108743
3-[3-[(3-ethylphenoxy)methyl]-5-fluorophenyl]prop-2-yn-1-amine
CID 79697897
3-(3,5-difluorophenyl)-5-[(3-ethylphenoxy)methyl]pyridine
CID 46044362
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene?
The IUPAC name of ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene (CID 176690950) is ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene.
What is the SMILES notation for ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene?
The canonical SMILES for ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene is CC.CCc1cccc(OCc2cccc(F)c2)c1.
What is the InChIKey of ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene?
The InChIKey is RHQCUKAHZDTXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO.C2H6/c1-2-12-5-4-8-15(10-12)17-11-13-6-3-7-14(16)9-13;1-2/h3-10H,2,11H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene?
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene has a molecular weight of 260.35 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 176690950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).