(1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol

C19H23NO — CID 63902192

IUPAC(1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol
SMILESCCCc1ccc(C(O)c2ccc3c(c2)CCN3C)cc1
InChIInChI=1S/C19H23NO/c1-3-4-14-5-7-15(8-6-14)19(21)17-9-10-18-16(13-17)11-12-20(18)2/h5-10,13,19,21H,3-4,11-12H2,1-2H3
InChIKeyKQEFMVMDXVNDTQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.71
Rot. Bonds4

About (1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol

(1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol (PubChem CID 63902192) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol.

Molecular Properties

Compound Name(1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol
PubChem CID63902192
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol
SMILESCCCc1ccc(C(O)c2ccc3c(c2)CCN3C)cc1
InChIInChI=1S/C19H23NO/c1-3-4-14-5-7-15(8-6-14)19(21)17-9-10-18-16(13-17)11-12-20(18)2/h5-10,13,19,21H,3-4,11-12H2,1-2H3
InChIKeyKQEFMVMDXVNDTQ-UHFFFAOYSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
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-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102661838
3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138006
(1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102829226
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900549
(2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900554
3-hydroxy-2-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132691
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-phenylpropanamide
CID 90582153

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol?
The IUPAC name of (1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol (CID 63902192) is (1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol.
What is the SMILES notation for (1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol?
The canonical SMILES for (1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol is CCCc1ccc(C(O)c2ccc3c(c2)CCN3C)cc1.
What is the InChIKey of (1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol?
The InChIKey is KQEFMVMDXVNDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-4-14-5-7-15(8-6-14)19(21)17-9-10-18-16(13-17)11-12-20(18)2/h5-10,13,19,21H,3-4,11-12H2,1-2H3.
What are the key properties of (1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol?
(1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol has a molecular weight of 281.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol is sourced from PubChem (CID 63902192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).