1,10c-dihydropyren-4-ol

C16H12O — CID 122534022

IUPAC1,10c-dihydropyren-4-ol
SMILESOC1=C2C=CCC3=C2C2C(=CC=CC2=C1)C=C3
InChIInChI=1S/C16H12O/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-3,5-9,15,17H,4H2
InChIKeyNHTHPKXCBSGNAH-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.68
Rot. Bonds

About 1,10c-dihydropyren-4-ol

1,10c-dihydropyren-4-ol (PubChem CID 122534022) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is 1,10c-dihydropyren-4-ol.

Molecular Properties

Compound Name1,10c-dihydropyren-4-ol
PubChem CID122534022
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name1,10c-dihydropyren-4-ol
SMILESOC1=C2C=CCC3=C2C2C(=CC=CC2=C1)C=C3
InChIInChI=1S/C16H12O/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-3,5-9,15,17H,4H2
InChIKeyNHTHPKXCBSGNAH-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,10c-dihydropyren-4-ol?
The IUPAC name of 1,10c-dihydropyren-4-ol (CID 122534022) is 1,10c-dihydropyren-4-ol.
What is the SMILES notation for 1,10c-dihydropyren-4-ol?
The canonical SMILES for 1,10c-dihydropyren-4-ol is OC1=C2C=CCC3=C2C2C(=CC=CC2=C1)C=C3.
What is the InChIKey of 1,10c-dihydropyren-4-ol?
The InChIKey is NHTHPKXCBSGNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-3,5-9,15,17H,4H2.
What are the key properties of 1,10c-dihydropyren-4-ol?
1,10c-dihydropyren-4-ol has a molecular weight of 220.27 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10c-dihydropyren-4-ol is sourced from PubChem (CID 122534022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).