(2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol

C17H18FNO2 — CID 82791432

IUPAC(2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
SMILESCOc1cccc(C(O)c2ccc3c(c2)CCN3C)c1F
InChIInChI=1S/C17H18FNO2/c1-19-9-8-11-10-12(6-7-14(11)19)17(20)13-4-3-5-15(21-2)16(13)18/h3-7,10,17,20H,8-9H2,1-2H3
InChIKeyMQIKSCZLKRUSAM-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.91
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol

(2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol (PubChem CID 82791432) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
PubChem CID82791432
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
SMILESCOc1cccc(C(O)c2ccc3c(c2)CCN3C)c1F
InChIInChI=1S/C17H18FNO2/c1-19-9-8-11-10-12(6-7-14(11)19)17(20)13-4-3-5-15(21-2)16(13)18/h3-7,10,17,20H,8-9H2,1-2H3
InChIKeyMQIKSCZLKRUSAM-UHFFFAOYSA-N
XLogP2.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900554
(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621
(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82802452
(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806466
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900549
[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 82805394
[3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 105120885
(1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol
CID 63902192
furan-3-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63948147
cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 106651079
(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol
CID 63899931
3-hydroxy-2-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132691

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol (CID 82791432) is (2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol is COc1cccc(C(O)c2ccc3c(c2)CCN3C)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The InChIKey is MQIKSCZLKRUSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-19-9-8-11-10-12(6-7-14(11)19)17(20)13-4-3-5-15(21-2)16(13)18/h3-7,10,17,20H,8-9H2,1-2H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
(2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol has a molecular weight of 287.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol is sourced from PubChem (CID 82791432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).