1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol

C16H21NO — CID 106663926

IUPAC1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H21NO/c1-11-9-15(2,3)10-16(11,18)13-5-4-6-14-12(13)7-8-17-14/h4-8,11,17-18H,9-10H2,1-3H3
InChIKeyJXNIWMCYPAOGRO-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.81
Rot. Bonds1

About 1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol

1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol (PubChem CID 106663926) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol
PubChem CID106663926
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H21NO/c1-11-9-15(2,3)10-16(11,18)13-5-4-6-14-12(13)7-8-17-14/h4-8,11,17-18H,9-10H2,1-3H3
InChIKeyJXNIWMCYPAOGRO-UHFFFAOYSA-N
XLogP3.81
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224
4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365814
1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449693
1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663829
2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol
CID 115351890
4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole
CID 89021879
3-(1H-indol-4-yl)-1-methylpiperidin-3-ol
CID 12900687
4-(1H-indol-4-yl)-1-methylazepan-4-ol
CID 115351908
8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 115351923
1H-indol-4-ol
CID 102220556
2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol
CID 106663884
1-(3-bromo-2,6-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106941537

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol?
The IUPAC name of 1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol (CID 106663926) is 1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol?
The canonical SMILES for 1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol is CC1CC(C)(C)CC1(O)c1cccc2[nH]ccc12.
What is the InChIKey of 1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol?
The InChIKey is JXNIWMCYPAOGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11-9-15(2,3)10-16(11,18)13-5-4-6-14-12(13)7-8-17-14/h4-8,11,17-18H,9-10H2,1-3H3.
What are the key properties of 1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol?
1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 3.81, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol is sourced from PubChem (CID 106663926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).