anthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol

C112H146O6 — CID 163642930

IUPACanthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Oc1cc2ccc3ccc4ccc5ccc6ccc1c1c6c5c4c3c21.Oc1ccc(-c2ccccc2)cc1.Oc1ccc2cc3ccccc3cc2c1.Oc1ccc2ccc3cccc4ccc1c2c34.Oc1cccc2ccccc12.Oc1ccccc1
InChIInChI=1S/C24H12O.C16H10O.C14H10O.C12H10O.C10H8O.C6H6O.15C2H6/c25-18-11-16-8-7-14-4-2-12-1-3-13-5-6-15-9-10-17(18)24-22(15)20(13)19(12)21(14)23(16)24;17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;11-10-7-3-5-8-4-1-2-6-9(8)10;7-6-4-2-1-3-5-6;15*1-2/h1-11,25H;1-9,17H;1-9,15H;1-9,13H;1-7,11H;1-5,7H;15*1-2H3
InChIKeyIFVAMQTVPRKQAO-UHFFFAOYSA-N
MW1588.39 g/mol
LogP37.00
Rot. Bonds1

About anthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol

anthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol (PubChem CID 163642930) has the molecular formula C112H146O6 and a molecular weight of 1588.39 g/mol. Its IUPAC name is anthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol.

Molecular Properties

Compound Nameanthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol
PubChem CID163642930
Molecular FormulaC112H146O6
Molecular Weight1588.39 g/mol
Exact Mass1587.11
IUPAC Nameanthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Oc1cc2ccc3ccc4ccc5ccc6ccc1c1c6c5c4c3c21.Oc1ccc(-c2ccccc2)cc1.Oc1ccc2cc3ccccc3cc2c1.Oc1ccc2ccc3cccc4ccc1c2c34.Oc1cccc2ccccc12.Oc1ccccc1
InChIInChI=1S/C24H12O.C16H10O.C14H10O.C12H10O.C10H8O.C6H6O.15C2H6/c25-18-11-16-8-7-14-4-2-12-1-3-13-5-6-15-9-10-17(18)24-22(15)20(13)19(12)21(14)23(16)24;17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;11-10-7-3-5-8-4-1-2-6-9(8)10;7-6-4-2-1-3-5-6;15*1-2/h1-11,25H;1-9,17H;1-9,15H;1-9,13H;1-7,11H;1-5,7H;15*1-2H3
InChIKeyIFVAMQTVPRKQAO-UHFFFAOYSA-N
XLogP37.00
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001588.39
LogP ≤ 537.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethane;naphthalen-1-ol;propane;pyren-4-ol
CID 158872339
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CID 67516588
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CID 175032185
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CID 174918554

Frequently Asked Questions

What is the IUPAC name of anthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol?
The IUPAC name of anthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol (CID 163642930) is anthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol.
What is the SMILES notation for anthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol?
The canonical SMILES for anthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Oc1cc2ccc3ccc4ccc5ccc6ccc1c1c6c5c4c3c21.Oc1ccc(-c2ccccc2)cc1.Oc1ccc2cc3ccccc3cc2c1.Oc1ccc2ccc3cccc4ccc1c2c34.Oc1cccc2ccccc12.Oc1ccccc1.
What is the InChIKey of anthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol?
The InChIKey is IFVAMQTVPRKQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12O.C16H10O.C14H10O.C12H10O.C10H8O.C6H6O.15C2H6/c25-18-11-16-8-7-14-4-2-12-1-3-13-5-6-15-9-10-17(18)24-22(15)20(13)19(12)21(14)23(16)24;17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;11-10-7-3-5-8-4-1-2-6-9(8)10;7-6-4-2-1-3-5-6;15*1-2/h1-11,25H;1-9,17H;1-9,15H;1-9,13H;1-7,11H;1-5,7H;15*1-2H3.
What are the key properties of anthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol?
anthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol has a molecular weight of 1588.39 g/mol, XLogP of 37.00, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-2-ol;coronen-1-ol;ethane;naphthalen-1-ol;phenol;4-phenylphenol;pyren-1-ol is sourced from PubChem (CID 163642930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).