4-(9,10-dihydroanthracen-9-yl)butan-1-ol

C18H20O — CID 601686

IUPAC4-(9,10-dihydroanthracen-9-yl)butan-1-ol
SMILESOCCCCC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C18H20O/c19-12-6-5-11-18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2
InChIKeyYRFFAOHKMDGFIN-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.89
Rot. Bonds4

About 4-(9,10-dihydroanthracen-9-yl)butan-1-ol

4-(9,10-dihydroanthracen-9-yl)butan-1-ol (PubChem CID 601686) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(9,10-dihydroanthracen-9-yl)butan-1-ol.

Molecular Properties

Compound Name4-(9,10-dihydroanthracen-9-yl)butan-1-ol
PubChem CID601686
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name4-(9,10-dihydroanthracen-9-yl)butan-1-ol
SMILESOCCCCC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C18H20O/c19-12-6-5-11-18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2
InChIKeyYRFFAOHKMDGFIN-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.89
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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Frequently Asked Questions

What is the IUPAC name of 4-(9,10-dihydroanthracen-9-yl)butan-1-ol?
The IUPAC name of 4-(9,10-dihydroanthracen-9-yl)butan-1-ol (CID 601686) is 4-(9,10-dihydroanthracen-9-yl)butan-1-ol.
What is the SMILES notation for 4-(9,10-dihydroanthracen-9-yl)butan-1-ol?
The canonical SMILES for 4-(9,10-dihydroanthracen-9-yl)butan-1-ol is OCCCCC1c2ccccc2Cc2ccccc21.
What is the InChIKey of 4-(9,10-dihydroanthracen-9-yl)butan-1-ol?
The InChIKey is YRFFAOHKMDGFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c19-12-6-5-11-18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2.
What are the key properties of 4-(9,10-dihydroanthracen-9-yl)butan-1-ol?
4-(9,10-dihydroanthracen-9-yl)butan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,10-dihydroanthracen-9-yl)butan-1-ol is sourced from PubChem (CID 601686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).