4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol

C19H21NO — CID 143599748

IUPAC4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol
SMILESCc1ccc2c(c1)c(C)c(C)n2CC1=CC=C(O)C=CC1
InChIInChI=1S/C19H21NO/c1-13-7-10-19-18(11-13)14(2)15(3)20(19)12-16-5-4-6-17(21)9-8-16/h4,6-11,21H,5,12H2,1-3H3
InChIKeyTYFGDPYHMPDBLJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.89
Rot. Bonds2

About 4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol

4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol (PubChem CID 143599748) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol
PubChem CID143599748
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol
SMILESCc1ccc2c(c1)c(C)c(C)n2CC1=CC=C(O)C=CC1
InChIInChI=1S/C19H21NO/c1-13-7-10-19-18(11-13)14(2)15(3)20(19)12-16-5-4-6-17(21)9-8-16/h4,6-11,21H,5,12H2,1-3H3
InChIKeyTYFGDPYHMPDBLJ-UHFFFAOYSA-N
XLogP4.89
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[(2,3,5-trimethylindol-1-yl)methyl]phenol
CID 143599776
4-[(1,6-dimethyl-2,4-dioxoquinazolin-3-yl)methyl]cyclohepta-1,3,6-triene-1-carboxylic acid;ethane
CID 142859045
1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 5235423
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 1089151
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 1089152
hydron;1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;chloride
CID 648761
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
(2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 35583838
1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 17028427
2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile
CID 167707740
1-ethyl-2,3-dimethylindole-5-carboxylic acid
CID 608826
N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940314

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol?
The IUPAC name of 4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol (CID 143599748) is 4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for 4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for 4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol is Cc1ccc2c(c1)c(C)c(C)n2CC1=CC=C(O)C=CC1.
What is the InChIKey of 4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol?
The InChIKey is TYFGDPYHMPDBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-7-10-19-18(11-13)14(2)15(3)20(19)12-16-5-4-6-17(21)9-8-16/h4,6-11,21H,5,12H2,1-3H3.
What are the key properties of 4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol?
4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol has a molecular weight of 279.38 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,5-trimethylindol-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 143599748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).