5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole

C16H23NO — CID 115074576

IUPAC5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
SMILESCC1CCC(COc2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C16H23NO/c1-12-2-4-13(5-3-12)11-18-15-6-7-16-14(10-15)8-9-17-16/h6-7,10,12-13,17H,2-5,8-9,11H2,1H3
InChIKeyDOQXNJVJFFIFQR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.86
Rot. Bonds3

About 5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole

5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole (PubChem CID 115074576) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
PubChem CID115074576
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
SMILESCC1CCC(COc2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C16H23NO/c1-12-2-4-13(5-3-12)11-18-15-6-7-16-14(10-15)8-9-17-16/h6-7,10,12-13,17H,2-5,8-9,11H2,1H3
InChIKeyDOQXNJVJFFIFQR-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(thian-4-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074613
5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074550
6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075304
5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074629
5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074635
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528
4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075338
6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075329
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 107414189
6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076292
7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076478
1-(cyclopropylmethoxy)-4-(4-methylcyclohexyl)benzene
CID 21137247

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole?
The IUPAC name of 5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole (CID 115074576) is 5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole is CC1CCC(COc2ccc3c(c2)CCN3)CC1.
What is the InChIKey of 5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole?
The InChIKey is DOQXNJVJFFIFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-2-4-13(5-3-12)11-18-15-6-7-16-14(10-15)8-9-17-16/h6-7,10,12-13,17H,2-5,8-9,11H2,1H3.
What are the key properties of 5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole?
5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole has a molecular weight of 245.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).