1-anthracen-9-ylpropan-2-ol

C17H16O — CID 19889136

IUPAC1-anthracen-9-ylpropan-2-ol
SMILESCC(O)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H16O/c1-12(18)10-17-15-8-4-2-6-13(15)11-14-7-3-5-9-16(14)17/h2-9,11-12,18H,10H2,1H3
InChIKeyHOXSNGWXDDVWQG-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.92
Rot. Bonds2

About 1-anthracen-9-ylpropan-2-ol

1-anthracen-9-ylpropan-2-ol (PubChem CID 19889136) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-anthracen-9-ylpropan-2-ol.

Molecular Properties

Compound Name1-anthracen-9-ylpropan-2-ol
PubChem CID19889136
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-anthracen-9-ylpropan-2-ol
SMILESCC(O)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H16O/c1-12(18)10-17-15-8-4-2-6-13(15)11-14-7-3-5-9-16(14)17/h2-9,11-12,18H,10H2,1H3
InChIKeyHOXSNGWXDDVWQG-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-di(anthracen-9-yl)propan-2-ol
CID 14980286
1-anthracen-9-ylpropan-2-ylphosphonic acid
CID 160754255
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride
CID 170891747
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
3-[(2S)-2-hydroxypropyl]isochromen-1-one
CID 25058370
ethyl 2-amino-3-anthracen-9-ylpropanoate
CID 170884626
(E,2R)-4-anthracen-9-ylbut-3-en-2-ol
CID 102394494
2-acetamido-3-anthracen-9-ylpropanoic acid
CID 54846693
7-(2-methylpropyl)-4-[7-(2-methylpropyl)benzo[a]anthracen-4-yl]benzo[a]anthracene
CID 123766662
9-propan-2-yloxyanthracene
CID 13287348
(2S)-2-amino-3-anthracen-9-ylpropanal
CID 126702373

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-9-ylpropan-2-ol?
The IUPAC name of 1-anthracen-9-ylpropan-2-ol (CID 19889136) is 1-anthracen-9-ylpropan-2-ol.
What is the SMILES notation for 1-anthracen-9-ylpropan-2-ol?
The canonical SMILES for 1-anthracen-9-ylpropan-2-ol is CC(O)Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-anthracen-9-ylpropan-2-ol?
The InChIKey is HOXSNGWXDDVWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-12(18)10-17-15-8-4-2-6-13(15)11-14-7-3-5-9-16(14)17/h2-9,11-12,18H,10H2,1H3.
What are the key properties of 1-anthracen-9-ylpropan-2-ol?
1-anthracen-9-ylpropan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-ylpropan-2-ol is sourced from PubChem (CID 19889136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).