2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol

C17H17FO — CID 107128521

IUPAC2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)C2Cc3ccccc3C2)cc1F
InChIInChI=1S/C17H17FO/c1-11-6-7-14(10-16(11)18)17(19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10,15,17,19H,8-9H2,1H3
InChIKeyZRODDUWBIGUXOP-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.58
Rot. Bonds2

About 2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol

2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol (PubChem CID 107128521) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol
PubChem CID107128521
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)C2Cc3ccccc3C2)cc1F
InChIInChI=1S/C17H17FO/c1-11-6-7-14(10-16(11)18)17(19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10,15,17,19H,8-9H2,1H3
InChIKeyZRODDUWBIGUXOP-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 107560051
2,3-dihydro-1H-indol-2-yl-(3-fluoro-4-methylphenyl)methanol
CID 65041648
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107128830
2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine
CID 65411297
(3-ethylcyclopentyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128518
3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol
CID 65412330
2,3-dihydro-1H-inden-2-yl-(4-methoxyphenyl)methanol
CID 65410577
2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-methylphenyl)methanol
CID 107128510
2,3-dihydro-1H-inden-2-yl-(2,4-dimethylphenyl)methanol
CID 65410977
1-(3-fluoro-4-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 60798295
(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107512915
cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol (CID 107128521) is 2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol is Cc1ccc(C(O)C2Cc3ccccc3C2)cc1F.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol?
The InChIKey is ZRODDUWBIGUXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-11-6-7-14(10-16(11)18)17(19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10,15,17,19H,8-9H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol?
2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol has a molecular weight of 256.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 107128521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).