4aH-benzo[c]chromen-2-ol

C13H10O2 — CID 19352224

IUPAC4aH-benzo[c]chromen-2-ol
SMILESOC1=CC2=c3ccccc3=COC2C=C1
InChIInChI=1S/C13H10O2/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-8,13-14H
InChIKeyHZQQQISKIBHZMP-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.99
Rot. Bonds

About 4aH-benzo[c]chromen-2-ol

4aH-benzo[c]chromen-2-ol (PubChem CID 19352224) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4aH-benzo[c]chromen-2-ol.

Molecular Properties

Compound Name4aH-benzo[c]chromen-2-ol
PubChem CID19352224
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name4aH-benzo[c]chromen-2-ol
SMILESOC1=CC2=c3ccccc3=COC2C=C1
InChIInChI=1S/C13H10O2/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-8,13-14H
InChIKeyHZQQQISKIBHZMP-UHFFFAOYSA-N
XLogP0.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4aH-benzo[c]chromen-2-ol?
The IUPAC name of 4aH-benzo[c]chromen-2-ol (CID 19352224) is 4aH-benzo[c]chromen-2-ol.
What is the SMILES notation for 4aH-benzo[c]chromen-2-ol?
The canonical SMILES for 4aH-benzo[c]chromen-2-ol is OC1=CC2=c3ccccc3=COC2C=C1.
What is the InChIKey of 4aH-benzo[c]chromen-2-ol?
The InChIKey is HZQQQISKIBHZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-8,13-14H.
What are the key properties of 4aH-benzo[c]chromen-2-ol?
4aH-benzo[c]chromen-2-ol has a molecular weight of 198.22 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-benzo[c]chromen-2-ol is sourced from PubChem (CID 19352224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).