2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol

C18H21NO2 — CID 106679754

IUPAC2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)c1cccc2c1NCC2
InChIInChI=1S/C18H21NO2/c1-11-9-12(2)16(15(10-11)21-3)18(20)14-6-4-5-13-7-8-19-17(13)14/h4-6,9-10,18-20H,7-8H2,1-3H3
InChIKeyOJROBEAXKIILTM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.36
Rot. Bonds3

About 2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol

2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol (PubChem CID 106679754) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol
PubChem CID106679754
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)c1cccc2c1NCC2
InChIInChI=1S/C18H21NO2/c1-11-9-12(2)16(15(10-11)21-3)18(20)14-6-4-5-13-7-8-19-17(13)14/h4-6,9-10,18-20H,7-8H2,1-3H3
InChIKeyOJROBEAXKIILTM-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-3-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106682622
2,3-dihydro-1H-indol-7-yl-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114638224
(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679531
(3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679553
(2-fluoro-6-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680256
(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679789
(2-fluoro-4-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680266
1-benzothiophen-3-yl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679584
(2-methoxy-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methanol
CID 106682549
(2-methoxy-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 106682522
(3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679797
(2,6-dimethoxy-4-methylphenyl)-phenylmethanol
CID 101134795

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol (CID 106679754) is 2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol is COc1cc(C)cc(C)c1C(O)c1cccc2c1NCC2.
What is the InChIKey of 2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol?
The InChIKey is OJROBEAXKIILTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11-9-12(2)16(15(10-11)21-3)18(20)14-6-4-5-13-7-8-19-17(13)14/h4-6,9-10,18-20H,7-8H2,1-3H3.
What are the key properties of 2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol?
2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol has a molecular weight of 283.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol is sourced from PubChem (CID 106679754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).