2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol

C18H19FO2 — CID 65101112

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc3c(c2)CCC3)cc1F
InChIInChI=1S/C18H19FO2/c1-21-18-8-7-15(11-16(18)19)17(20)10-12-5-6-13-3-2-4-14(13)9-12/h5-9,11,17,20H,2-4,10H2,1H3
InChIKeyLFVOUPLMYWWZKE-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.60
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol

2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 65101112) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID65101112
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc3c(c2)CCC3)cc1F
InChIInChI=1S/C18H19FO2/c1-21-18-8-7-15(11-16(18)19)17(20)10-12-5-6-13-3-2-4-14(13)9-12/h5-9,11,17,20H,2-4,10H2,1H3
InChIKeyLFVOUPLMYWWZKE-UHFFFAOYSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440402
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487646
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803420
1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 79973379
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 79702145
(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
1-(3-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803551

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol (CID 65101112) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc(C(O)Cc2ccc3c(c2)CCC3)cc1F.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is LFVOUPLMYWWZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-21-18-8-7-15(11-16(18)19)17(20)10-12-5-6-13-3-2-4-14(13)9-12/h5-9,11,17,20H,2-4,10H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 286.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 65101112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).