(2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol

C18H21NO2 — CID 63900554

IUPAC(2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
SMILESCOc1ccc(C)cc1C(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C18H21NO2/c1-12-4-7-17(21-3)15(10-12)18(20)14-5-6-16-13(11-14)8-9-19(16)2/h4-7,10-11,18,20H,8-9H2,1-3H3
InChIKeyIUFSLFQRVJXBLH-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.08
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol

(2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol (PubChem CID 63900554) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
PubChem CID63900554
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
SMILESCOc1ccc(C)cc1C(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C18H21NO2/c1-12-4-7-17(21-3)15(10-12)18(20)14-5-6-16-13(11-14)8-9-19(16)2/h4-7,10-11,18,20H,8-9H2,1-3H3
InChIKeyIUFSLFQRVJXBLH-UHFFFAOYSA-N
XLogP3.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.08
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-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82791432
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900549
2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 63899321
(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
3-hydroxy-2-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132691
(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82802452
(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 106848292
(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol
CID 63899931
2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096342
(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 81111618

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The IUPAC name of (2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol (CID 63900554) is (2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The canonical SMILES for (2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol is COc1ccc(C)cc1C(O)c1ccc2c(c1)CCN2C.
What is the InChIKey of (2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The InChIKey is IUFSLFQRVJXBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-4-7-17(21-3)15(10-12)18(20)14-5-6-16-13(11-14)8-9-19(16)2/h4-7,10-11,18,20H,8-9H2,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
(2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol has a molecular weight of 283.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol is sourced from PubChem (CID 63900554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).