2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol

C18H20O3 — CID 79372409

IUPAC2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)C(Oc1cc(C)cc(C)c1)C2
InChIInChI=1S/C18H20O3/c1-11-6-12(2)8-15(7-11)21-17-9-13-4-5-14(20-3)10-16(13)18(17)19/h4-8,10,17-19H,9H2,1-3H3
InChIKeyDJQRAZYMDYQBSC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.35
Rot. Bonds3

About 2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol

2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 79372409) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID79372409
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)C(Oc1cc(C)cc(C)c1)C2
InChIInChI=1S/C18H20O3/c1-11-6-12(2)8-15(7-11)21-17-9-13-4-5-14(20-3)10-16(13)18(17)19/h4-8,10,17-19H,9H2,1-3H3
InChIKeyDJQRAZYMDYQBSC-UHFFFAOYSA-N
XLogP3.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374018
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
6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine
CID 79370320
2-(3,4-dimethylcyclohexyl)oxy-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372422
(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 129404140
2-[cycloheptyl(methyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372170
6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79374795
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248625
(7S)-4-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 7055849

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol (CID 79372409) is 2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol is COc1ccc2c(c1)C(O)C(Oc1cc(C)cc(C)c1)C2.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is DJQRAZYMDYQBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-11-6-12(2)8-15(7-11)21-17-9-13-4-5-14(20-3)10-16(13)18(17)19/h4-8,10,17-19H,9H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol?
2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 284.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 79372409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).