2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol

C18H26O3 — CID 79372422

IUPAC2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)C(OC1CCC(C)C(C)C1)C2
InChIInChI=1S/C18H26O3/c1-11-4-6-15(8-12(11)2)21-17-9-13-5-7-14(20-3)10-16(13)18(17)19/h5,7,10-12,15,17-19H,4,6,8-9H2,1-3H3
InChIKeyMVNQOPQEJNQFGD-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.49
Rot. Bonds3

About 2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol

2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 79372422) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID79372422
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)C(OC1CCC(C)C(C)C1)C2
InChIInChI=1S/C18H26O3/c1-11-4-6-15(8-12(11)2)21-17-9-13-5-7-14(20-3)10-16(13)18(17)19/h5,7,10-12,15,17-19H,4,6,8-9H2,1-3H3
InChIKeyMVNQOPQEJNQFGD-UHFFFAOYSA-N
XLogP3.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374018
2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372409
6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine
CID 79374892
2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64745338
2-(2,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372407
2-(2-fluoro-3-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 107660304
2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 102983334
1-bromo-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 79726232
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372170
7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248625
1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 79725548

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol (CID 79372422) is 2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol is COc1ccc2c(c1)C(O)C(OC1CCC(C)C(C)C1)C2.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is MVNQOPQEJNQFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-11-4-6-15(8-12(11)2)21-17-9-13-5-7-14(20-3)10-16(13)18(17)19/h5,7,10-12,15,17-19H,4,6,8-9H2,1-3H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol?
2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 290.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 79372422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).