anthracene;hexan-1-ol

C20H24O — CID 174457209

IUPACanthracene;hexan-1-ol
SMILESCCCCCCO.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C6H14O/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-3-4-5-6-7/h1-10H;7H,2-6H2,1H3
InChIKeyZBKSEIORHJIPNL-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.55
Rot. Bonds4

About anthracene;hexan-1-ol

anthracene;hexan-1-ol (PubChem CID 174457209) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is anthracene;hexan-1-ol.

Molecular Properties

Compound Nameanthracene;hexan-1-ol
PubChem CID174457209
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Nameanthracene;hexan-1-ol
SMILESCCCCCCO.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C6H14O/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-3-4-5-6-7/h1-10H;7H,2-6H2,1H3
InChIKeyZBKSEIORHJIPNL-UHFFFAOYSA-N
XLogP5.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

naphthalene;octan-1-ol
CID 90016891
octan-1-ol;1,2-xylene
CID 68579692
butan-1-ol;2-methylanthracene
CID 157365265
octadecan-1-ol;propane
CID 174371095
anthracene;ethanol;titanium
CID 160763576
anthracene;ethane-1,2-diol
CID 158405305
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071

Frequently Asked Questions

What is the IUPAC name of anthracene;hexan-1-ol?
The IUPAC name of anthracene;hexan-1-ol (CID 174457209) is anthracene;hexan-1-ol.
What is the SMILES notation for anthracene;hexan-1-ol?
The canonical SMILES for anthracene;hexan-1-ol is CCCCCCO.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;hexan-1-ol?
The InChIKey is ZBKSEIORHJIPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C6H14O/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-3-4-5-6-7/h1-10H;7H,2-6H2,1H3.
What are the key properties of anthracene;hexan-1-ol?
anthracene;hexan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;hexan-1-ol is sourced from PubChem (CID 174457209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).