(1-cyclohexyl-2,3-dihydroindol-4-yl)methanol

C15H21NO — CID 115115579

IUPAC(1-cyclohexyl-2,3-dihydroindol-4-yl)methanol
SMILESOCc1cccc2c1CCN2C1CCCCC1
InChIInChI=1S/C15H21NO/c17-11-12-5-4-8-15-14(12)9-10-16(15)13-6-2-1-3-7-13/h4-5,8,13,17H,1-3,6-7,9-11H2
InChIKeyCBXDMYMHYSRTPL-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.87
Rot. Bonds2

About (1-cyclohexyl-2,3-dihydroindol-4-yl)methanol

(1-cyclohexyl-2,3-dihydroindol-4-yl)methanol (PubChem CID 115115579) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1-cyclohexyl-2,3-dihydroindol-4-yl)methanol.

Molecular Properties

Compound Name(1-cyclohexyl-2,3-dihydroindol-4-yl)methanol
PubChem CID115115579
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1-cyclohexyl-2,3-dihydroindol-4-yl)methanol
SMILESOCc1cccc2c1CCN2C1CCCCC1
InChIInChI=1S/C15H21NO/c17-11-12-5-4-8-15-14(12)9-10-16(15)13-6-2-1-3-7-13/h4-5,8,13,17H,1-3,6-7,9-11H2
InChIKeyCBXDMYMHYSRTPL-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2,3-dihydroindol-4-yl)methanol?
The IUPAC name of (1-cyclohexyl-2,3-dihydroindol-4-yl)methanol (CID 115115579) is (1-cyclohexyl-2,3-dihydroindol-4-yl)methanol.
What is the SMILES notation for (1-cyclohexyl-2,3-dihydroindol-4-yl)methanol?
The canonical SMILES for (1-cyclohexyl-2,3-dihydroindol-4-yl)methanol is OCc1cccc2c1CCN2C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2,3-dihydroindol-4-yl)methanol?
The InChIKey is CBXDMYMHYSRTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-11-12-5-4-8-15-14(12)9-10-16(15)13-6-2-1-3-7-13/h4-5,8,13,17H,1-3,6-7,9-11H2.
What are the key properties of (1-cyclohexyl-2,3-dihydroindol-4-yl)methanol?
(1-cyclohexyl-2,3-dihydroindol-4-yl)methanol has a molecular weight of 231.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2,3-dihydroindol-4-yl)methanol is sourced from PubChem (CID 115115579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).