4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole

C15H14FNO — CID 116698337

IUPAC4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(-c2cccc3c2CCN3)cc1F
InChIInChI=1S/C15H14FNO/c1-18-15-6-5-10(9-13(15)16)11-3-2-4-14-12(11)7-8-17-14/h2-6,9,17H,7-8H2,1H3
InChIKeyBSMBLJPWOPEORT-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.47
Rot. Bonds2

About 4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole

4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole (PubChem CID 116698337) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
PubChem CID116698337
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(-c2cccc3c2CCN3)cc1F
InChIInChI=1S/C15H14FNO/c1-18-15-6-5-10(9-13(15)16)11-3-2-4-14-12(11)7-8-17-14/h2-6,9,17H,7-8H2,1H3
InChIKeyBSMBLJPWOPEORT-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole
CID 116698397
4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 107289624
4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 116698622
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
4-naphthalen-2-yl-2,3-dihydro-1H-indole
CID 116698319
4-(3-methoxypyrazin-2-yl)-2,3-dihydro-1H-indole
CID 116698410
4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole
CID 116698400
4-(1,3-dihydro-2-benzofuran-5-yl)-2,3-dihydro-1H-indole
CID 116698575
6-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-indole
CID 116698516
4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole
CID 175786397
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 145058135

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole (CID 116698337) is 4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole is COc1ccc(-c2cccc3c2CCN3)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole?
The InChIKey is BSMBLJPWOPEORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-18-15-6-5-10(9-13(15)16)11-3-2-4-14-12(11)7-8-17-14/h2-6,9,17H,7-8H2,1H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole?
4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole has a molecular weight of 243.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116698337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).