benzene-1,2-diol;perylene

C26H18O2 — CID 175494116

IUPACbenzene-1,2-diol;perylene
SMILESOc1ccccc1O.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C6H6O2/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;7-5-3-1-2-4-6(5)8/h1-12H;1-4,7-8H
InChIKeyVFQKFOAHGJTBOY-UHFFFAOYSA-N
MW362.43 g/mol
LogP6.84
Rot. Bonds

About benzene-1,2-diol;perylene

benzene-1,2-diol;perylene (PubChem CID 175494116) has the molecular formula C26H18O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is benzene-1,2-diol;perylene.

Molecular Properties

Compound Namebenzene-1,2-diol;perylene
PubChem CID175494116
Molecular FormulaC26H18O2
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Namebenzene-1,2-diol;perylene
SMILESOc1ccccc1O.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C6H6O2/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;7-5-3-1-2-4-6(5)8/h1-12H;1-4,7-8H
InChIKeyVFQKFOAHGJTBOY-UHFFFAOYSA-N
XLogP6.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

perylene;phenol
CID 88796717
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
ethane-1,2-diol;perylene
CID 87614452
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
benzo[e]pyrene
CID 9128
hexahelicen-1-ol
CID 102137730
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
acetic acid;perylene
CID 175230474
carbamic acid;perylene
CID 22363514
naphthalen-1-ol;zinc;hydrate
CID 175263139
bis(naphthalen-1-ol);titanium(2+);dichloride
CID 21243627

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;perylene?
The IUPAC name of benzene-1,2-diol;perylene (CID 175494116) is benzene-1,2-diol;perylene.
What is the SMILES notation for benzene-1,2-diol;perylene?
The canonical SMILES for benzene-1,2-diol;perylene is Oc1ccccc1O.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of benzene-1,2-diol;perylene?
The InChIKey is VFQKFOAHGJTBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C6H6O2/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;7-5-3-1-2-4-6(5)8/h1-12H;1-4,7-8H.
What are the key properties of benzene-1,2-diol;perylene?
benzene-1,2-diol;perylene has a molecular weight of 362.43 g/mol, XLogP of 6.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;perylene is sourced from PubChem (CID 175494116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).