3-fluoro-2-(4-methoxyphenyl)-1H-indene

C16H13FO — CID 102296700

IUPAC3-fluoro-2-(4-methoxyphenyl)-1H-indene
SMILESCOc1ccc(C2=C(F)c3ccccc3C2)cc1
InChIInChI=1S/C16H13FO/c1-18-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16(15)17/h2-9H,10H2,1H3
InChIKeyRKZYOODCCNJPMB-UHFFFAOYSA-N
MW240.28 g/mol
LogP4.09
Rot. Bonds2

About 3-fluoro-2-(4-methoxyphenyl)-1H-indene

3-fluoro-2-(4-methoxyphenyl)-1H-indene (PubChem CID 102296700) has the molecular formula C16H13FO and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-fluoro-2-(4-methoxyphenyl)-1H-indene.

Molecular Properties

Compound Name3-fluoro-2-(4-methoxyphenyl)-1H-indene
PubChem CID102296700
Molecular FormulaC16H13FO
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name3-fluoro-2-(4-methoxyphenyl)-1H-indene
SMILESCOc1ccc(C2=C(F)c3ccccc3C2)cc1
InChIInChI=1S/C16H13FO/c1-18-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16(15)17/h2-9H,10H2,1H3
InChIKeyRKZYOODCCNJPMB-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene
CID 160973980
2-bromo-3-(4-methoxyphenyl)-1H-indene
CID 157190744
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
2-(3,5-dimethoxyphenyl)-3-methyl-1H-indene
CID 134983349
1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene
CID 139240862
N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine
CID 161479064
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene
CID 178069232
4-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 147099645
2-tert-butyl-4-(4-methoxyphenyl)-1H-indene
CID 87961320
7-methoxy-10H-phenanthren-9-one
CID 135042116

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methoxyphenyl)-1H-indene?
The IUPAC name of 3-fluoro-2-(4-methoxyphenyl)-1H-indene (CID 102296700) is 3-fluoro-2-(4-methoxyphenyl)-1H-indene.
What is the SMILES notation for 3-fluoro-2-(4-methoxyphenyl)-1H-indene?
The canonical SMILES for 3-fluoro-2-(4-methoxyphenyl)-1H-indene is COc1ccc(C2=C(F)c3ccccc3C2)cc1.
What is the InChIKey of 3-fluoro-2-(4-methoxyphenyl)-1H-indene?
The InChIKey is RKZYOODCCNJPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO/c1-18-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16(15)17/h2-9H,10H2,1H3.
What are the key properties of 3-fluoro-2-(4-methoxyphenyl)-1H-indene?
3-fluoro-2-(4-methoxyphenyl)-1H-indene has a molecular weight of 240.28 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methoxyphenyl)-1H-indene is sourced from PubChem (CID 102296700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).