anthracene;benzene;naphthalene;phenol

C36H30O — CID 174822165

IUPACanthracene;benzene;naphthalene;phenol
SMILESOc1ccccc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C14H10.C10H8.C6H6O.C6H6/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-10H;1-8H;1-5,7H;1-6H
InChIKeyZOXZRDYSANQBBA-UHFFFAOYSA-N
MW478.64 g/mol
LogP9.91
Rot. Bonds

About anthracene;benzene;naphthalene;phenol

anthracene;benzene;naphthalene;phenol (PubChem CID 174822165) has the molecular formula C36H30O and a molecular weight of 478.64 g/mol. Its IUPAC name is anthracene;benzene;naphthalene;phenol.

Molecular Properties

Compound Nameanthracene;benzene;naphthalene;phenol
PubChem CID174822165
Molecular FormulaC36H30O
Molecular Weight478.64 g/mol
Exact Mass478.23
IUPAC Nameanthracene;benzene;naphthalene;phenol
SMILESOc1ccccc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C14H10.C10H8.C6H6O.C6H6/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-10H;1-8H;1-5,7H;1-6H
InChIKeyZOXZRDYSANQBBA-UHFFFAOYSA-N
XLogP9.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 59.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

anthracene;benzene;naphthalene
CID 142706236
1,1'-biphenyl;naphthalene;phenol
CID 159002551
2-bromonaphthalene;phenol
CID 174920874
molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
aluminum phenol
CID 19023057
CID 159904044
CID 159904044
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;naphthalene;phenol?
The IUPAC name of anthracene;benzene;naphthalene;phenol (CID 174822165) is anthracene;benzene;naphthalene;phenol.
What is the SMILES notation for anthracene;benzene;naphthalene;phenol?
The canonical SMILES for anthracene;benzene;naphthalene;phenol is Oc1ccccc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of anthracene;benzene;naphthalene;phenol?
The InChIKey is ZOXZRDYSANQBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C10H8.C6H6O.C6H6/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-10H;1-8H;1-5,7H;1-6H.
What are the key properties of anthracene;benzene;naphthalene;phenol?
anthracene;benzene;naphthalene;phenol has a molecular weight of 478.64 g/mol, XLogP of 9.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;naphthalene;phenol is sourced from PubChem (CID 174822165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).