1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol

C17H18O2 — CID 162670528

IUPAC1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol
SMILESCC1(Cc2ccc(O)cc2)CCc2cc(O)ccc21
InChIInChI=1S/C17H18O2/c1-17(11-12-2-4-14(18)5-3-12)9-8-13-10-15(19)6-7-16(13)17/h2-7,10,18-19H,8-9,11H2,1H3
InChIKeyROKDZTWHXYGGTD-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.54
Rot. Bonds2

About 1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol

1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol (PubChem CID 162670528) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol
PubChem CID162670528
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol
SMILESCC1(Cc2ccc(O)cc2)CCc2cc(O)ccc21
InChIInChI=1S/C17H18O2/c1-17(11-12-2-4-14(18)5-3-12)9-8-13-10-15(19)6-7-16(13)17/h2-7,10,18-19H,8-9,11H2,1H3
InChIKeyROKDZTWHXYGGTD-UHFFFAOYSA-N
XLogP3.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol (CID 162670528) is 1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol is CC1(Cc2ccc(O)cc2)CCc2cc(O)ccc21.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol?
The InChIKey is ROKDZTWHXYGGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(11-12-2-4-14(18)5-3-12)9-8-13-10-15(19)6-7-16(13)17/h2-7,10,18-19H,8-9,11H2,1H3.
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol?
1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol has a molecular weight of 254.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol is sourced from PubChem (CID 162670528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).