acetic acid;2-ethyl-10-phenylanthracen-9-ol

C24H22O3 — CID 71405476

IUPACacetic acid;2-ethyl-10-phenylanthracen-9-ol
SMILESCC(=O)O.CCc1ccc2c(-c3ccccc3)c3ccccc3c(O)c2c1
InChIInChI=1S/C22H18O.C2H4O2/c1-2-15-12-13-18-20(14-15)22(23)19-11-7-6-10-17(19)21(18)16-8-4-3-5-9-16;1-2(3)4/h3-14,23H,2H2,1H3;1H3,(H,3,4)
InChIKeyFUMQWRWJWMSWMH-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.02
Rot. Bonds2

About acetic acid;2-ethyl-10-phenylanthracen-9-ol

acetic acid;2-ethyl-10-phenylanthracen-9-ol (PubChem CID 71405476) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is acetic acid;2-ethyl-10-phenylanthracen-9-ol.

Molecular Properties

Compound Nameacetic acid;2-ethyl-10-phenylanthracen-9-ol
PubChem CID71405476
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Nameacetic acid;2-ethyl-10-phenylanthracen-9-ol
SMILESCC(=O)O.CCc1ccc2c(-c3ccccc3)c3ccccc3c(O)c2c1
InChIInChI=1S/C22H18O.C2H4O2/c1-2-15-12-13-18-20(14-15)22(23)19-11-7-6-10-17(19)21(18)16-8-4-3-5-9-16;1-2(3)4/h3-14,23H,2H2,1H3;1H3,(H,3,4)
InChIKeyFUMQWRWJWMSWMH-UHFFFAOYSA-N
XLogP6.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-10-phenylanthracen-9-ol
CID 71405477
7,14-diphenylpentacene-5,12-diol
CID 91191463
2,3-dibromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol
CID 12669124
2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene
CID 145010127
3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307006
2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58672231
acetic acid;phenanthrene-9,10-diol
CID 71435568
30-ethyl-3,18-diphenyldodecacyclo[21.17.2.224,27.02,19.04,17.05,10.011,16.020,41.025,37.026,34.028,33.038,42]tetratetraconta-1(41),2,4(17),5,7,9,11,13,15,18,20,22,24(44),25(37),26(34),27(43),28(33),29,31,35,38(42),39-docosaene
CID 163918597
acetic acid;2-methylnaphthalene-1,4-diol
CID 57358360
9,10-bis(4-hexylphenyl)-2-phenylanthracene
CID 102232961
9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
CID 142403047
3-bromo-7-ethyl-4-(4-ethylphenyl)naphthalen-1-ol
CID 13393733

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-ethyl-10-phenylanthracen-9-ol?
The IUPAC name of acetic acid;2-ethyl-10-phenylanthracen-9-ol (CID 71405476) is acetic acid;2-ethyl-10-phenylanthracen-9-ol.
What is the SMILES notation for acetic acid;2-ethyl-10-phenylanthracen-9-ol?
The canonical SMILES for acetic acid;2-ethyl-10-phenylanthracen-9-ol is CC(=O)O.CCc1ccc2c(-c3ccccc3)c3ccccc3c(O)c2c1.
What is the InChIKey of acetic acid;2-ethyl-10-phenylanthracen-9-ol?
The InChIKey is FUMQWRWJWMSWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O.C2H4O2/c1-2-15-12-13-18-20(14-15)22(23)19-11-7-6-10-17(19)21(18)16-8-4-3-5-9-16;1-2(3)4/h3-14,23H,2H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-ethyl-10-phenylanthracen-9-ol?
acetic acid;2-ethyl-10-phenylanthracen-9-ol has a molecular weight of 358.44 g/mol, XLogP of 6.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-ethyl-10-phenylanthracen-9-ol is sourced from PubChem (CID 71405476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).