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

C17H18O2 — CID 79373998

IUPAC6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(c1ccc(C)cc1)CC2
InChIInChI=1S/C17H18O2/c1-12-3-6-14(7-4-12)17(18)10-9-13-5-8-15(19-2)11-16(13)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyQLLRLIGWFKKNQH-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.19
Rot. Bonds2

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

6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol (PubChem CID 79373998) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol
PubChem CID79373998
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(c1ccc(C)cc1)CC2
InChIInChI=1S/C17H18O2/c1-12-3-6-14(7-4-12)17(18)10-9-13-5-8-15(19-2)11-16(13)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyQLLRLIGWFKKNQH-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol (CID 79373998) is 6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol is COc1ccc2c(c1)C(O)(c1ccc(C)cc1)CC2.
What is the InChIKey of 6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is QLLRLIGWFKKNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-3-6-14(7-4-12)17(18)10-9-13-5-8-15(19-2)11-16(13)17/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol?
6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79373998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).