2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol

C17H17FO3 — CID 102983334

IUPAC2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)C(Oc1cc(F)ccc1C)C2
InChIInChI=1S/C17H17FO3/c1-10-3-5-12(18)8-15(10)21-16-7-11-4-6-13(20-2)9-14(11)17(16)19/h3-6,8-9,16-17,19H,7H2,1-2H3
InChIKeyKHMKGWOEFZCXQX-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.18
Rot. Bonds3

About 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol

2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 102983334) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID102983334
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)C(Oc1cc(F)ccc1C)C2
InChIInChI=1S/C17H17FO3/c1-10-3-5-12(18)8-15(10)21-16-7-11-4-6-13(20-2)9-14(11)17(16)19/h3-6,8-9,16-17,19H,7H2,1-2H3
InChIKeyKHMKGWOEFZCXQX-UHFFFAOYSA-N
XLogP3.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 107660304
2-(2,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372407
2-(4-fluorophenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374018
2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 102981057
2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372409
2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372422
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951
6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine
CID 79370320
4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
CID 90140548
6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79374795
2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372170
N-(4-fluoro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370032

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol (CID 102983334) is 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol is COc1ccc2c(c1)C(O)C(Oc1cc(F)ccc1C)C2.
What is the InChIKey of 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is KHMKGWOEFZCXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-10-3-5-12(18)8-15(10)21-16-7-11-4-6-13(20-2)9-14(11)17(16)19/h3-6,8-9,16-17,19H,7H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol?
2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 288.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 102983334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).