6-chloropicen-2-ol

C22H13ClO — CID 174251317

IUPAC6-chloropicen-2-ol
SMILESOc1ccc2cc(Cl)c3c(ccc4c5ccccc5ccc43)c2c1
InChIInChI=1S/C22H13ClO/c23-21-11-14-5-7-15(24)12-20(14)19-10-9-17-16-4-2-1-3-13(16)6-8-18(17)22(19)21/h1-12,24H
InChIKeyOMVCPSXDJMTKPS-UHFFFAOYSA-N
MW328.80 g/mol
LogP6.66
Rot. Bonds

About 6-chloropicen-2-ol

6-chloropicen-2-ol (PubChem CID 174251317) has the molecular formula C22H13ClO and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-chloropicen-2-ol.

Molecular Properties

Compound Name6-chloropicen-2-ol
PubChem CID174251317
Molecular FormulaC22H13ClO
Molecular Weight328.80 g/mol
Exact Mass328.07
IUPAC Name6-chloropicen-2-ol
SMILESOc1ccc2cc(Cl)c3c(ccc4c5ccccc5ccc43)c2c1
InChIInChI=1S/C22H13ClO/c23-21-11-14-5-7-15(24)12-20(14)19-10-9-17-16-4-2-1-3-13(16)6-8-18(17)22(19)21/h1-12,24H
InChIKeyOMVCPSXDJMTKPS-UHFFFAOYSA-N
XLogP6.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.80
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
triphenylene-2,7-diol
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2-chlorophenanthren-1-ol
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3-bromo-2-chlorophenanthrene
CID 166845355
naphtho[1,2-b]phenanthrene
CID 5889
phenanthrene-2,3-diol
CID 23048019
heptacyclo[16.12.0.02,15.03,12.04,9.020,29.021,26]triaconta-1(30),2(15),3(12),4,6,8,10,13,16,18,20(29),21,23,25,27-pentadecaene
CID 155637443
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Frequently Asked Questions

What is the IUPAC name of 6-chloropicen-2-ol?
The IUPAC name of 6-chloropicen-2-ol (CID 174251317) is 6-chloropicen-2-ol.
What is the SMILES notation for 6-chloropicen-2-ol?
The canonical SMILES for 6-chloropicen-2-ol is Oc1ccc2cc(Cl)c3c(ccc4c5ccccc5ccc43)c2c1.
What is the InChIKey of 6-chloropicen-2-ol?
The InChIKey is OMVCPSXDJMTKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClO/c23-21-11-14-5-7-15(24)12-20(14)19-10-9-17-16-4-2-1-3-13(16)6-8-18(17)22(19)21/h1-12,24H.
What are the key properties of 6-chloropicen-2-ol?
6-chloropicen-2-ol has a molecular weight of 328.80 g/mol, XLogP of 6.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropicen-2-ol is sourced from PubChem (CID 174251317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).