anthracen-9-ylmethanol;pyren-2-ylmethanol

C32H24O2 — CID 158001139

IUPACanthracen-9-ylmethanol;pyren-2-ylmethanol
SMILESOCc1c2ccccc2cc2ccccc12.OCc1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C17H12O.C15H12O/c18-10-11-8-14-6-4-12-2-1-3-13-5-7-15(9-11)17(14)16(12)13;16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,18H,10H2;1-9,16H,10H2
InChIKeyFDTDCJCYJUTRKY-UHFFFAOYSA-N
MW440.54 g/mol
LogP7.56
Rot. Bonds2

About anthracen-9-ylmethanol;pyren-2-ylmethanol

anthracen-9-ylmethanol;pyren-2-ylmethanol (PubChem CID 158001139) has the molecular formula C32H24O2 and a molecular weight of 440.54 g/mol. Its IUPAC name is anthracen-9-ylmethanol;pyren-2-ylmethanol.

Molecular Properties

Compound Nameanthracen-9-ylmethanol;pyren-2-ylmethanol
PubChem CID158001139
Molecular FormulaC32H24O2
Molecular Weight440.54 g/mol
Exact Mass440.18
IUPAC Nameanthracen-9-ylmethanol;pyren-2-ylmethanol
SMILESOCc1c2ccccc2cc2ccccc12.OCc1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C17H12O.C15H12O/c18-10-11-8-14-6-4-12-2-1-3-13-5-7-15(9-11)17(14)16(12)13;16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,18H,10H2;1-9,16H,10H2
InChIKeyFDTDCJCYJUTRKY-UHFFFAOYSA-N
XLogP7.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 57.56
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

(2-bromoanthracen-9-yl)methanol
CID 87382861
[1-(hydroxymethyl)pyren-2-yl]methanol
CID 54570957
phenanthrene;pyrene;triphenylene
CID 162115949
decacyclo[15.15.1.16,30.02,15.03,12.04,31.05,10.021,33.023,32.024,29]tetratriaconta-1(33),2(15),3(12),4,6,8,10,13,16,18,20,22,24,26,28,30(34),31-heptadecaene
CID 21083061
heptacyclo[12.12.0.02,11.03,8.04,25.017,26.019,24]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21,23,25-tridecaene
CID 6455215
hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene
CID 172997689
1,3-di(anthracen-9-yl)propan-2-ol
CID 14980286
6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 102520249
benzo[a]pyrene;fluoranthene;naphthalene;phenanthrene;pyrene
CID 159525445
pentaphene;perylene
CID 159419403
[9-(methyliminomethyl)anthracen-2-yl]methanol
CID 57310667
benzo[a]anthracen-8-ylmethanol
CID 25090609

Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethanol;pyren-2-ylmethanol?
The IUPAC name of anthracen-9-ylmethanol;pyren-2-ylmethanol (CID 158001139) is anthracen-9-ylmethanol;pyren-2-ylmethanol.
What is the SMILES notation for anthracen-9-ylmethanol;pyren-2-ylmethanol?
The canonical SMILES for anthracen-9-ylmethanol;pyren-2-ylmethanol is OCc1c2ccccc2cc2ccccc12.OCc1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of anthracen-9-ylmethanol;pyren-2-ylmethanol?
The InChIKey is FDTDCJCYJUTRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O.C15H12O/c18-10-11-8-14-6-4-12-2-1-3-13-5-7-15(9-11)17(14)16(12)13;16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,18H,10H2;1-9,16H,10H2.
What are the key properties of anthracen-9-ylmethanol;pyren-2-ylmethanol?
anthracen-9-ylmethanol;pyren-2-ylmethanol has a molecular weight of 440.54 g/mol, XLogP of 7.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethanol;pyren-2-ylmethanol is sourced from PubChem (CID 158001139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).