1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol

C18H20O2 — CID 162645210

IUPAC1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol
SMILESCCC(c1ccc(O)cc1)C1CCc2cc(O)ccc21
InChIInChI=1S/C18H20O2/c1-2-16(12-3-6-14(19)7-4-12)18-9-5-13-11-15(20)8-10-17(13)18/h3-4,6-8,10-11,16,18-20H,2,5,9H2,1H3
InChIKeyRDWPUJQGVVMQEU-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.32
Rot. Bonds3

About 1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol

1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 162645210) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol
PubChem CID162645210
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol
SMILESCCC(c1ccc(O)cc1)C1CCc2cc(O)ccc21
InChIInChI=1S/C18H20O2/c1-2-16(12-3-6-14(19)7-4-12)18-9-5-13-11-15(20)8-10-17(13)18/h3-4,6-8,10-11,16,18-20H,2,5,9H2,1H3
InChIKeyRDWPUJQGVVMQEU-UHFFFAOYSA-N
XLogP4.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol (CID 162645210) is 1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol is CCC(c1ccc(O)cc1)C1CCc2cc(O)ccc21.
What is the InChIKey of 1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is RDWPUJQGVVMQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-16(12-3-6-14(19)7-4-12)18-9-5-13-11-15(20)8-10-17(13)18/h3-4,6-8,10-11,16,18-20H,2,5,9H2,1H3.
What are the key properties of 1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol?
1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 268.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 162645210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).