1,3-di(anthracen-9-yl)propan-2-ol

C31H24O — CID 14980286

IUPAC1,3-di(anthracen-9-yl)propan-2-ol
SMILESOC(Cc1c2ccccc2cc2ccccc12)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C31H24O/c32-25(19-30-26-13-5-1-9-21(26)17-22-10-2-6-14-27(22)30)20-31-28-15-7-3-11-23(28)18-24-12-4-8-16-29(24)31/h1-18,25,32H,19-20H2
InChIKeyKUKVFIAMVZWRQG-UHFFFAOYSA-N
MW412.53 g/mol
LogP7.45
Rot. Bonds4

About 1,3-di(anthracen-9-yl)propan-2-ol

1,3-di(anthracen-9-yl)propan-2-ol (PubChem CID 14980286) has the molecular formula C31H24O and a molecular weight of 412.53 g/mol. Its IUPAC name is 1,3-di(anthracen-9-yl)propan-2-ol.

Molecular Properties

Compound Name1,3-di(anthracen-9-yl)propan-2-ol
PubChem CID14980286
Molecular FormulaC31H24O
Molecular Weight412.53 g/mol
Exact Mass412.18
IUPAC Name1,3-di(anthracen-9-yl)propan-2-ol
SMILESOC(Cc1c2ccccc2cc2ccccc12)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C31H24O/c32-25(19-30-26-13-5-1-9-21(26)17-22-10-2-6-14-27(22)30)20-31-28-15-7-3-11-23(28)18-24-12-4-8-16-29(24)31/h1-18,25,32H,19-20H2
InChIKeyKUKVFIAMVZWRQG-UHFFFAOYSA-N
XLogP7.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 57.45
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-anthracen-9-ylpropan-2-ol
CID 19889136
2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride
CID 170891747
1-anthracen-9-ylpropan-2-ylphosphonic acid
CID 160754255
(2S)-2-amino-3-anthracen-9-ylpropanal
CID 126702373
3-anthracen-9-yloxypropane-1,2-diol
CID 139994732
anthracen-9-ylmethyloxidanium
CID 143222944
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
2,4-bis(anthracen-9-ylmethyl)benzene-1,3,5-triol
CID 20634059
ethyl 2-amino-3-anthracen-9-ylpropanoate
CID 170884626
9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene
CID 12570915
2-acetamido-3-anthracen-9-ylpropanoic acid
CID 54846693
(3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol
CID 58590288

Frequently Asked Questions

What is the IUPAC name of 1,3-di(anthracen-9-yl)propan-2-ol?
The IUPAC name of 1,3-di(anthracen-9-yl)propan-2-ol (CID 14980286) is 1,3-di(anthracen-9-yl)propan-2-ol.
What is the SMILES notation for 1,3-di(anthracen-9-yl)propan-2-ol?
The canonical SMILES for 1,3-di(anthracen-9-yl)propan-2-ol is OC(Cc1c2ccccc2cc2ccccc12)Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 1,3-di(anthracen-9-yl)propan-2-ol?
The InChIKey is KUKVFIAMVZWRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O/c32-25(19-30-26-13-5-1-9-21(26)17-22-10-2-6-14-27(22)30)20-31-28-15-7-3-11-23(28)18-24-12-4-8-16-29(24)31/h1-18,25,32H,19-20H2.
What are the key properties of 1,3-di(anthracen-9-yl)propan-2-ol?
1,3-di(anthracen-9-yl)propan-2-ol has a molecular weight of 412.53 g/mol, XLogP of 7.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(anthracen-9-yl)propan-2-ol is sourced from PubChem (CID 14980286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).