4aH-benzo[c]chromene

C13H10O — CID 19702209

IUPAC4aH-benzo[c]chromene
SMILESC1=CC2=c3ccccc3=COC2C=C1
InChIInChI=1S/C13H10O/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9,13H
InChIKeyKDTQBESFYGHFDV-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.10
Rot. Bonds

About 4aH-benzo[c]chromene

4aH-benzo[c]chromene (PubChem CID 19702209) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 4aH-benzo[c]chromene.

Molecular Properties

Compound Name4aH-benzo[c]chromene
PubChem CID19702209
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name4aH-benzo[c]chromene
SMILESC1=CC2=c3ccccc3=COC2C=C1
InChIInChI=1S/C13H10O/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9,13H
InChIKeyKDTQBESFYGHFDV-UHFFFAOYSA-N
XLogP1.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4aH-benzo[c]chromene?
The IUPAC name of 4aH-benzo[c]chromene (CID 19702209) is 4aH-benzo[c]chromene.
What is the SMILES notation for 4aH-benzo[c]chromene?
The canonical SMILES for 4aH-benzo[c]chromene is C1=CC2=c3ccccc3=COC2C=C1.
What is the InChIKey of 4aH-benzo[c]chromene?
The InChIKey is KDTQBESFYGHFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9,13H.
What are the key properties of 4aH-benzo[c]chromene?
4aH-benzo[c]chromene has a molecular weight of 182.22 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-benzo[c]chromene is sourced from PubChem (CID 19702209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).