7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol

C17H18O3 — CID 138744900

IUPAC7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc(-c2ccc(OC)c3c2CCC3O)cc1
InChIInChI=1S/C17H18O3/c1-19-12-5-3-11(4-6-12)13-8-10-16(20-2)17-14(13)7-9-15(17)18/h3-6,8,10,15,18H,7,9H2,1-2H3
InChIKeyMXSILDAFYQFHIB-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.35
Rot. Bonds3

About 7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol

7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 138744900) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID138744900
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc(-c2ccc(OC)c3c2CCC3O)cc1
InChIInChI=1S/C17H18O3/c1-19-12-5-3-11(4-6-12)13-8-10-16(20-2)17-14(13)7-9-15(17)18/h3-6,8,10,15,18H,7,9H2,1-2H3
InChIKeyMXSILDAFYQFHIB-UHFFFAOYSA-N
XLogP3.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol (CID 138744900) is 7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol is COc1ccc(-c2ccc(OC)c3c2CCC3O)cc1.
What is the InChIKey of 7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is MXSILDAFYQFHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-19-12-5-3-11(4-6-12)13-8-10-16(20-2)17-14(13)7-9-15(17)18/h3-6,8,10,15,18H,7,9H2,1-2H3.
What are the key properties of 7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol?
7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 270.33 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 7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 138744900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).