2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol

C17H17FO2 — CID 104794422

IUPAC2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cccc(CC2Cc3ccccc3C2O)c1F
InChIInChI=1S/C17H17FO2/c1-20-15-8-4-6-12(16(15)18)10-13-9-11-5-2-3-7-14(11)17(13)19/h2-8,13,17,19H,9-10H2,1H3
InChIKeyWWXANIBVSLTMNF-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.28
Rot. Bonds3

About 2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol

2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 104794422) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID104794422
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cccc(CC2Cc3ccccc3C2O)c1F
InChIInChI=1S/C17H17FO2/c1-20-15-8-4-6-12(16(15)18)10-13-9-11-5-2-3-7-14(11)17(13)19/h2-8,13,17,19H,9-10H2,1H3
InChIKeyWWXANIBVSLTMNF-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol
CID 55050055
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol
CID 113453825
3-bromo-4-[(2-fluoro-3-methoxyphenyl)methyl]thiolane
CID 104794463
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795133
3-chloro-4-[(2-fluoro-3-methoxyphenyl)methyl]thiolane
CID 104794462
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593
N-[[2-[(2-fluoro-3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104795707
1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 113453828
1-[(2-fluoro-3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337659
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 104792652

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol (CID 104794422) is 2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol is COc1cccc(CC2Cc3ccccc3C2O)c1F.
What is the InChIKey of 2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is WWXANIBVSLTMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-20-15-8-4-6-12(16(15)18)10-13-9-11-5-2-3-7-14(11)17(13)19/h2-8,13,17,19H,9-10H2,1H3.
What are the key properties of 2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol?
2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 272.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 104794422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).