1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol

C40H46O2 — CID 150324405

IUPAC1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)COc1ccc(-c2cccc3cc4ccccc4cc23)c(-c2ccccc2)c1
InChIInChI=1S/C40H46O2/c1-2-3-4-5-6-7-8-9-10-14-23-35(41)30-42-36-25-26-38(40(29-36)31-18-12-11-13-19-31)37-24-17-22-34-27-32-20-15-16-21-33(32)28-39(34)37/h11-13,15-22,24-29,35,41H,2-10,14,23,30H2,1H3
InChIKeyGOIBNUHKDZLFHZ-UHFFFAOYSA-N
MW558.81 g/mol
LogP11.38
Rot. Bonds16

About 1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol

1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol (PubChem CID 150324405) has the molecular formula C40H46O2 and a molecular weight of 558.81 g/mol. Its IUPAC name is 1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol.

Molecular Properties

Compound Name1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol
PubChem CID150324405
Molecular FormulaC40H46O2
Molecular Weight558.81 g/mol
Exact Mass558.35
IUPAC Name1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)COc1ccc(-c2cccc3cc4ccccc4cc23)c(-c2ccccc2)c1
InChIInChI=1S/C40H46O2/c1-2-3-4-5-6-7-8-9-10-14-23-35(41)30-42-36-25-26-38(40(29-36)31-18-12-11-13-19-31)37-24-17-22-34-27-32-20-15-16-21-33(32)28-39(34)37/h11-13,15-22,24-29,35,41H,2-10,14,23,30H2,1H3
InChIKeyGOIBNUHKDZLFHZ-UHFFFAOYSA-N
XLogP11.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.81
LogP ≤ 511.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

boric acid;tris(1-[3-phenyl-4-[tetrakis(2,3,4,5,6-pentafluorophenyl)-λ5-iodanyl]phenoxy]tetradecan-2-ol)
CID 172770302
1-phenoxytetradecan-2-ol
CID 11609222
1-phenoxyheptan-2-ol
CID 12731443
1-naphthalen-1-yloxyundecan-2-ol
CID 2793899
1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706
1-(3-chlorophenoxy)undecan-2-ol
CID 105084879
1-(2-phenylphenyl)anthracene
CID 21435778
14-phenoxytetradecane-1,13-diol
CID 123918890
tris[[4-(2-hydroxytetradecoxy)phenyl]-phenyl-λ3-iodanyl] stiborate
CID 141168595
1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene
CID 151043305
1-tridecan-7-ylanthracene
CID 150514951
1-(4-butan-2-ylphenoxy)decan-2-ol
CID 23396711

Frequently Asked Questions

What is the IUPAC name of 1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol?
The IUPAC name of 1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol (CID 150324405) is 1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol.
What is the SMILES notation for 1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol?
The canonical SMILES for 1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol is CCCCCCCCCCCCC(O)COc1ccc(-c2cccc3cc4ccccc4cc23)c(-c2ccccc2)c1.
What is the InChIKey of 1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol?
The InChIKey is GOIBNUHKDZLFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46O2/c1-2-3-4-5-6-7-8-9-10-14-23-35(41)30-42-36-25-26-38(40(29-36)31-18-12-11-13-19-31)37-24-17-22-34-27-32-20-15-16-21-33(32)28-39(34)37/h11-13,15-22,24-29,35,41H,2-10,14,23,30H2,1H3.
What are the key properties of 1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol?
1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol has a molecular weight of 558.81 g/mol, XLogP of 11.38, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anthracen-1-yl-3-phenylphenoxy)tetradecan-2-ol is sourced from PubChem (CID 150324405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).