4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol

C18H20O2 — CID 63091389

IUPAC4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(OCCCc3ccccc3)cccc21
InChIInChI=1S/C18H20O2/c19-17-12-11-16-15(17)9-4-10-18(16)20-13-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,17,19H,5,8,11-13H2
InChIKeyIVNUZBIEFXLLEY-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.68
Rot. Bonds5

About 4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol

4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 63091389) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID63091389
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(OCCCc3ccccc3)cccc21
InChIInChI=1S/C18H20O2/c19-17-12-11-16-15(17)9-4-10-18(16)20-13-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,17,19H,5,8,11-13H2
InChIKeyIVNUZBIEFXLLEY-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 63090709
4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 55179905
4-but-3-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 63091221
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile
CID 63090888
5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79228032
4-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63091043
5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454391
1-[2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]ethyl]imidazolidin-2-one
CID 63091226
4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol
CID 89299936
5-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1,3-oxazolidin-2-one
CID 63091025
3-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-propan-2-ylpropanamide
CID 63090874
4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 107912816

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol (CID 63091389) is 4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol is OC1CCc2c(OCCCc3ccccc3)cccc21.
What is the InChIKey of 4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is IVNUZBIEFXLLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c19-17-12-11-16-15(17)9-4-10-18(16)20-13-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,17,19H,5,8,11-13H2.
What are the key properties of 4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol?
4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 268.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 63091389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).