7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile

C17H14FNO2 — CID 155103496

IUPAC7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile
SMILESN#CC1Cc2cc(OCc3ccccc3)cc(F)c2C1O
InChIInChI=1S/C17H14FNO2/c18-15-8-14(21-10-11-4-2-1-3-5-11)7-12-6-13(9-19)17(20)16(12)15/h1-5,7-8,13,17,20H,6,10H2
InChIKeyOCETUAZKUHIFQO-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.13
Rot. Bonds3

About 7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile

7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile (PubChem CID 155103496) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile.

Molecular Properties

Compound Name7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile
PubChem CID155103496
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile
SMILESN#CC1Cc2cc(OCc3ccccc3)cc(F)c2C1O
InChIInChI=1S/C17H14FNO2/c18-15-8-14(21-10-11-4-2-1-3-5-11)7-12-6-13(9-19)17(20)16(12)15/h1-5,7-8,13,17,20H,6,10H2
InChIKeyOCETUAZKUHIFQO-UHFFFAOYSA-N
XLogP3.13
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
CID 59448572
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
2-(2,6-difluoro-4-phenylmethoxyphenyl)ethanol
CID 134414342
cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
CID 71610242
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
(2-bromo-6-fluoro-4-phenylmethoxyphenyl)boronic acid
CID 52987981
tert-butyl 8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 162458375
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944
1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone
CID 91863185
ethane;4-fluoro-N-(3-methylbutyl)-2-phenylmethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 169128211
3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene
CID 167488738

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile?
The IUPAC name of 7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile (CID 155103496) is 7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile.
What is the SMILES notation for 7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile?
The canonical SMILES for 7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile is N#CC1Cc2cc(OCc3ccccc3)cc(F)c2C1O.
What is the InChIKey of 7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile?
The InChIKey is OCETUAZKUHIFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-15-8-14(21-10-11-4-2-1-3-5-11)7-12-6-13(9-19)17(20)16(12)15/h1-5,7-8,13,17,20H,6,10H2.
What are the key properties of 7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile?
7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile has a molecular weight of 283.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-hydroxy-5-phenylmethoxy-2,3-dihydro-1H-indene-2-carbonitrile is sourced from PubChem (CID 155103496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).