1-[(3-fluorophenyl)methyl]-4-propoxyindole

C18H18FNO — CID 83166118

IUPAC1-[(3-fluorophenyl)methyl]-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2Cc1cccc(F)c1
InChIInChI=1S/C18H18FNO/c1-2-11-21-18-8-4-7-17-16(18)9-10-20(17)13-14-5-3-6-15(19)12-14/h3-10,12H,2,11,13H2,1H3
InChIKeyVAGFCOPNTYXFRL-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.62
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-4-propoxyindole

1-[(3-fluorophenyl)methyl]-4-propoxyindole (PubChem CID 83166118) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-propoxyindole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-propoxyindole
PubChem CID83166118
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name1-[(3-fluorophenyl)methyl]-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2Cc1cccc(F)c1
InChIInChI=1S/C18H18FNO/c1-2-11-21-18-8-4-7-17-16(18)9-10-20(17)13-14-5-3-6-15(19)12-14/h3-10,12H,2,11,13H2,1H3
InChIKeyVAGFCOPNTYXFRL-UHFFFAOYSA-N
XLogP4.62
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-fluorophenyl)methyl]indol-4-yl]oxyethyl-methylcarbamic acid
CID 150012015
4-[(4-propoxyindol-1-yl)methyl]phenol
CID 83166122
1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole
CID 102879190
1-[(3-fluorophenyl)methyl]-5-propoxyindole
CID 116625580
1-[(2-bromophenyl)methyl]-4-propoxyindole
CID 83166128
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole
CID 83174184
3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole
CID 83166124
1-(2-ethylsulfonylethyl)-4-propoxyindole
CID 83174266
1-(3-ethoxypropyl)-4-propoxyindole
CID 83173539
1-(3-methylsulfonylpropyl)-4-propoxyindole
CID 83173638

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-propoxyindole?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-propoxyindole (CID 83166118) is 1-[(3-fluorophenyl)methyl]-4-propoxyindole.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-propoxyindole?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-propoxyindole is CCCOc1cccc2c1ccn2Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-propoxyindole?
The InChIKey is VAGFCOPNTYXFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-2-11-21-18-8-4-7-17-16(18)9-10-20(17)13-14-5-3-6-15(19)12-14/h3-10,12H,2,11,13H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-propoxyindole?
1-[(3-fluorophenyl)methyl]-4-propoxyindole has a molecular weight of 283.35 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-propoxyindole is sourced from PubChem (CID 83166118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).