1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol

C27H22O — CID 10498878

IUPAC1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol
SMILESOC(CCc1cccc2ccccc12)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C27H22O/c28-26(17-16-20-12-7-11-19-8-1-4-13-23(19)20)27-24-14-5-2-9-21(24)18-22-10-3-6-15-25(22)27/h1-15,18,26,28H,16-17H2
InChIKeyWRAXDFQFRMSNIF-UHFFFAOYSA-N
MW362.47 g/mol
LogP6.81
Rot. Bonds4

About 1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol

1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol (PubChem CID 10498878) has the molecular formula C27H22O and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol
PubChem CID10498878
Molecular FormulaC27H22O
Molecular Weight362.47 g/mol
Exact Mass362.17
IUPAC Name1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol
SMILESOC(CCc1cccc2ccccc12)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C27H22O/c28-26(17-16-20-12-7-11-19-8-1-4-13-23(19)20)27-24-14-5-2-9-21(24)18-22-10-3-6-15-25(22)27/h1-15,18,26,28H,16-17H2
InChIKeyWRAXDFQFRMSNIF-UHFFFAOYSA-N
XLogP6.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.81
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-naphthalen-1-ylpentan-3-ol
CID 2793924
1-(3,3-dichloropropyl)naphthalene
CID 54458566
1-(3-chloropentyl)naphthalene
CID 63460195
3-naphthalen-1-yl-1-phenylpropan-1-amine
CID 43370421
(3R)-1-naphthalen-1-ylhex-4-yn-3-ol
CID 101340053
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
(2S)-2-amino-2-anthracen-9-ylethanol
CID 11623207
N-(4-naphthalen-1-ylbutan-2-yl)aniline
CID 162403213
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
ethane;2-naphthalen-1-ylethanol
CID 145119048
3-naphthalen-1-ylpropan-1-ol
CID 14711518
1-(3-naphthalen-2-ylbutyl)naphthalene
CID 173247348

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol?
The IUPAC name of 1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol (CID 10498878) is 1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol.
What is the SMILES notation for 1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol?
The canonical SMILES for 1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol is OC(CCc1cccc2ccccc12)c1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol?
The InChIKey is WRAXDFQFRMSNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O/c28-26(17-16-20-12-7-11-19-8-1-4-13-23(19)20)27-24-14-5-2-9-21(24)18-22-10-3-6-15-25(22)27/h1-15,18,26,28H,16-17H2.
What are the key properties of 1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol?
1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol has a molecular weight of 362.47 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol is sourced from PubChem (CID 10498878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).