4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole

C15H14FNO — CID 133056207

IUPAC4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole
SMILESFc1c(OCc2ccccc2)ccc2c1CCN2
InChIInChI=1S/C15H14FNO/c16-15-12-8-9-17-13(12)6-7-14(15)18-10-11-4-2-1-3-5-11/h1-7,17H,8-10H2
InChIKeyVVYXWHNBUCQZGU-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.37
Rot. Bonds3

About 4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole

4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole (PubChem CID 133056207) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole
PubChem CID133056207
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole
SMILESFc1c(OCc2ccccc2)ccc2c1CCN2
InChIInChI=1S/C15H14FNO/c16-15-12-8-9-17-13(12)6-7-14(15)18-10-11-4-2-1-3-5-11/h1-7,17H,8-10H2
InChIKeyVVYXWHNBUCQZGU-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
5-ethenyl-4-methyl-6-phenylmethoxy-2,3-dihydro-1H-indole
CID 143450740
1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene
CID 54164319
2-(2,6-difluoro-3-phenylmethoxyphenyl)pyridine
CID 174635964
1-ethenyl-2,3-difluoro-4-phenylmethoxybenzene
CID 172563052
1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene
CID 164892505
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol
CID 137378511
5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole
CID 14849556
2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride
CID 63036759
1-(4-hydroxy-2,3-dihydro-1H-indol-5-yl)-4-phenylbutane-2,3-diol
CID 67602021
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole?
The IUPAC name of 4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole (CID 133056207) is 4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole is Fc1c(OCc2ccccc2)ccc2c1CCN2.
What is the InChIKey of 4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole?
The InChIKey is VVYXWHNBUCQZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-15-12-8-9-17-13(12)6-7-14(15)18-10-11-4-2-1-3-5-11/h1-7,17H,8-10H2.
What are the key properties of 4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole?
4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole has a molecular weight of 243.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 133056207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).