1-hydroxy-2-pentyl-10H-anthracen-9-one

C19H20O2 — CID 175148432

IUPAC1-hydroxy-2-pentyl-10H-anthracen-9-one
SMILESCCCCCc1ccc2c(c1O)C(=O)c1ccccc1C2
InChIInChI=1S/C19H20O2/c1-2-3-4-7-13-10-11-15-12-14-8-5-6-9-16(14)19(21)17(15)18(13)20/h5-6,8-11,20H,2-4,7,12H2,1H3
InChIKeyKCULDNCKFBLOGF-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.26
Rot. Bonds4

About 1-hydroxy-2-pentyl-10H-anthracen-9-one

1-hydroxy-2-pentyl-10H-anthracen-9-one (PubChem CID 175148432) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-hydroxy-2-pentyl-10H-anthracen-9-one.

Molecular Properties

Compound Name1-hydroxy-2-pentyl-10H-anthracen-9-one
PubChem CID175148432
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-hydroxy-2-pentyl-10H-anthracen-9-one
SMILESCCCCCc1ccc2c(c1O)C(=O)c1ccccc1C2
InChIInChI=1S/C19H20O2/c1-2-3-4-7-13-10-11-15-12-14-8-5-6-9-16(14)19(21)17(15)18(13)20/h5-6,8-11,20H,2-4,7,12H2,1H3
InChIKeyKCULDNCKFBLOGF-UHFFFAOYSA-N
XLogP4.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.26
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

2,3-dihydroxy-1-pentyl-10H-anthracen-9-one
CID 70562442
3,4-dioctyl-9H-fluorene
CID 173498709
benzene;formamide;4-octyl-9H-fluorene
CID 175052278
4-dodecyl-1,8-dihydroxy-10H-anthracen-9-one
CID 20542347
4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol
CID 151971202
9H-fluorene;henicosane
CID 174789372
2-(9H-fluoren-1-yl)-3-heptyl-4-pentylphenol
CID 150413225
2-(9H-fluoren-1-yl)-3,4-dioctylphenol
CID 151912824
bis(9H-fluorene);pentane
CID 159146463
1-decylanthracene-9,10-dione
CID 139845419
1-dodecylanthracene-9,10-dione
CID 67664417
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-pentyl-10H-anthracen-9-one?
The IUPAC name of 1-hydroxy-2-pentyl-10H-anthracen-9-one (CID 175148432) is 1-hydroxy-2-pentyl-10H-anthracen-9-one.
What is the SMILES notation for 1-hydroxy-2-pentyl-10H-anthracen-9-one?
The canonical SMILES for 1-hydroxy-2-pentyl-10H-anthracen-9-one is CCCCCc1ccc2c(c1O)C(=O)c1ccccc1C2.
What is the InChIKey of 1-hydroxy-2-pentyl-10H-anthracen-9-one?
The InChIKey is KCULDNCKFBLOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-3-4-7-13-10-11-15-12-14-8-5-6-9-16(14)19(21)17(15)18(13)20/h5-6,8-11,20H,2-4,7,12H2,1H3.
What are the key properties of 1-hydroxy-2-pentyl-10H-anthracen-9-one?
1-hydroxy-2-pentyl-10H-anthracen-9-one has a molecular weight of 280.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-pentyl-10H-anthracen-9-one is sourced from PubChem (CID 175148432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).