4-(4H-inden-5-yl)butan-1-ol

C13H16O — CID 175199176

IUPAC4-(4H-inden-5-yl)butan-1-ol
SMILESOCCCCC1=CC=C2C=CC=C2C1
InChIInChI=1S/C13H16O/c14-9-2-1-4-11-7-8-12-5-3-6-13(12)10-11/h3,5-8,14H,1-2,4,9-10H2
InChIKeyRQXAJSJLFCLJAZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.90
Rot. Bonds4

About 4-(4H-inden-5-yl)butan-1-ol

4-(4H-inden-5-yl)butan-1-ol (PubChem CID 175199176) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(4H-inden-5-yl)butan-1-ol.

Molecular Properties

Compound Name4-(4H-inden-5-yl)butan-1-ol
PubChem CID175199176
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4-(4H-inden-5-yl)butan-1-ol
SMILESOCCCCC1=CC=C2C=CC=C2C1
InChIInChI=1S/C13H16O/c14-9-2-1-4-11-7-8-12-5-3-6-13(12)10-11/h3,5-8,14H,1-2,4,9-10H2
InChIKeyRQXAJSJLFCLJAZ-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Codlemone
CID 1787910
Bombykol
CID 445128
10,12-Hexadecadien-1-ol
CID 5353007
11,13-Hexadecadien-1-ol, (11Z,13Z)-
CID 5365563
2-(Cyclohex-1-en-1-yl)ethan-1-ol
CID 227351
(9Z,11E)-tetradeca-9,11-dien-1-ol
CID 13699784
(7E,9Z)-dodeca-7,9-dien-1-ol
CID 5283279
(Z,Z)-10,12-Pentadecadien-1-ol
CID 87490883
Dodeca-8,10-dienol
CID 1787904
8Z,10E-Dodecadien-1-ol
CID 1787906
8E,10Z-Dodecadien-1-ol
CID 1787908
11E,13-Tetradecadien-1-ol
CID 5362662

Frequently Asked Questions

What is the IUPAC name of 4-(4H-inden-5-yl)butan-1-ol?
The IUPAC name of 4-(4H-inden-5-yl)butan-1-ol (CID 175199176) is 4-(4H-inden-5-yl)butan-1-ol.
What is the SMILES notation for 4-(4H-inden-5-yl)butan-1-ol?
The canonical SMILES for 4-(4H-inden-5-yl)butan-1-ol is OCCCCC1=CC=C2C=CC=C2C1.
What is the InChIKey of 4-(4H-inden-5-yl)butan-1-ol?
The InChIKey is RQXAJSJLFCLJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c14-9-2-1-4-11-7-8-12-5-3-6-13(12)10-11/h3,5-8,14H,1-2,4,9-10H2.
What are the key properties of 4-(4H-inden-5-yl)butan-1-ol?
4-(4H-inden-5-yl)butan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4H-inden-5-yl)butan-1-ol is sourced from PubChem (CID 175199176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).