1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol

C18H26O2 — CID 79374140

IUPAC1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol
SMILESCCC1CCC(C2(O)CCc3ccc(OC)cc32)CC1
InChIInChI=1S/C18H26O2/c1-3-13-4-7-15(8-5-13)18(19)11-10-14-6-9-16(20-2)12-17(14)18/h6,9,12-13,15,19H,3-5,7-8,10-11H2,1-2H3
InChIKeyNSAPQFHFXDMDFG-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.05
Rot. Bonds3

About 1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol

1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol (PubChem CID 79374140) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol
PubChem CID79374140
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol
SMILESCCC1CCC(C2(O)CCc3ccc(OC)cc32)CC1
InChIInChI=1S/C18H26O2/c1-3-13-4-7-15(8-5-13)18(19)11-10-14-6-9-16(20-2)12-17(14)18/h6,9,12-13,15,19H,3-5,7-8,10-11H2,1-2H3
InChIKeyNSAPQFHFXDMDFG-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
1-(4-ethylcyclohexyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79233573
7-methoxy-1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 19784338
6-methoxy-1-pyrrolidin-2-yl-2,3-dihydroinden-1-ol
CID 79375065
1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol
CID 14843789
4-ethyl-1-(4-methoxy-2-methylphenyl)cyclohexan-1-ol
CID 65313174
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79371784
1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79375059
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
6-methoxy-1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 79368954
7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-ol
CID 115010787

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol (CID 79374140) is 1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol is CCC1CCC(C2(O)CCc3ccc(OC)cc32)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol?
The InChIKey is NSAPQFHFXDMDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-13-4-7-15(8-5-13)18(19)11-10-14-6-9-16(20-2)12-17(14)18/h6,9,12-13,15,19H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol?
1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol has a molecular weight of 274.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79374140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).