perylene-1,10-diol

C20H12O2 — CID 139257662

IUPACperylene-1,10-diol
SMILESOc1ccc2c3c(O)ccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C20H12O2/c21-16-10-8-15-19-13(5-2-6-14(16)19)12-4-1-3-11-7-9-17(22)20(15)18(11)12/h1-10,21-22H
InChIKeyWBVOOPOFCRBGME-UHFFFAOYSA-N
MW284.31 g/mol
LogP5.15
Rot. Bonds

About perylene-1,10-diol

perylene-1,10-diol (PubChem CID 139257662) has the molecular formula C20H12O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is perylene-1,10-diol.

Molecular Properties

Compound Nameperylene-1,10-diol
PubChem CID139257662
Molecular FormulaC20H12O2
Molecular Weight284.31 g/mol
Exact Mass284.08
IUPAC Nameperylene-1,10-diol
SMILESOc1ccc2c3c(O)ccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C20H12O2/c21-16-10-8-15-19-13(5-2-6-14(16)19)12-4-1-3-11-7-9-17(22)20(15)18(11)12/h1-10,21-22H
InChIKeyWBVOOPOFCRBGME-UHFFFAOYSA-N
XLogP5.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.31
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21,23,25-tridecaen-19-ol
CID 126662128
benzene;bis(propan-2-ol);bis(pyren-1-ol)
CID 158038310
4-phenylperylene-1,7-diol
CID 155755188
undecacyclo[23.13.1.126,30.02,23.03,12.06,11.010,15.013,22.014,19.035,39.034,40]tetraconta-1(38),2,4,6(11),7,9,12,14(19),15,17,20,22,24,26,28,30(40),31,33,35(39),36-icosaene
CID 12771537
hexahelicen-1-ol
CID 102137730
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
benzene-1,2-diol;perylene
CID 175494116
benzo[e]pyrene
CID 9128
heptacyclo[18.6.2.02,15.03,8.09,14.017,27.024,28]octacosa-1(27),2(15),3,5,7,9,11,13,16,18,20(28),21,23,25-tetradecaene
CID 15820916
pyrene-4,9-diol
CID 15270756
6-methylpyren-1-ol
CID 59779494
4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol
CID 136784114

Frequently Asked Questions

What is the IUPAC name of perylene-1,10-diol?
The IUPAC name of perylene-1,10-diol (CID 139257662) is perylene-1,10-diol.
What is the SMILES notation for perylene-1,10-diol?
The canonical SMILES for perylene-1,10-diol is Oc1ccc2c3c(O)ccc4cccc(c5cccc1c52)c43.
What is the InChIKey of perylene-1,10-diol?
The InChIKey is WBVOOPOFCRBGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O2/c21-16-10-8-15-19-13(5-2-6-14(16)19)12-4-1-3-11-7-9-17(22)20(15)18(11)12/h1-10,21-22H.
What are the key properties of perylene-1,10-diol?
perylene-1,10-diol has a molecular weight of 284.31 g/mol, XLogP of 5.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for perylene-1,10-diol is sourced from PubChem (CID 139257662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).