2,2-dimethoxybenzo[h]chromene

C15H14O3 — CID 141176561

IUPAC2,2-dimethoxybenzo[h]chromene
SMILESCOC1(OC)C=Cc2ccc3ccccc3c2O1
InChIInChI=1S/C15H14O3/c1-16-15(17-2)10-9-12-8-7-11-5-3-4-6-13(11)14(12)18-15/h3-10H,1-2H3
InChIKeyTXDCRBGISIOBBU-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.19
Rot. Bonds2

About 2,2-dimethoxybenzo[h]chromene

2,2-dimethoxybenzo[h]chromene (PubChem CID 141176561) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2,2-dimethoxybenzo[h]chromene.

Molecular Properties

Compound Name2,2-dimethoxybenzo[h]chromene
PubChem CID141176561
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2,2-dimethoxybenzo[h]chromene
SMILESCOC1(OC)C=Cc2ccc3ccccc3c2O1
InChIInChI=1S/C15H14O3/c1-16-15(17-2)10-9-12-8-7-11-5-3-4-6-13(11)14(12)18-15/h3-10H,1-2H3
InChIKeyTXDCRBGISIOBBU-UHFFFAOYSA-N
XLogP3.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-2-methylbenzo[h]chromene
CID 15650046
7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene]
CID 631792
CID 10792750
CID 10792750
N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline
CID 70344376
spiro[benzo[h]chromene-2,3'-pyrrolidine]
CID 82046003
2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene
CID 169032361
2-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylethanamine
CID 82047156
3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine
CID 82047190
4-methoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 102346383
N-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-4-amine
CID 81480683
CID 159413466
CID 159413466
ethane;methane;phenanthrene
CID 144939263

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxybenzo[h]chromene?
The IUPAC name of 2,2-dimethoxybenzo[h]chromene (CID 141176561) is 2,2-dimethoxybenzo[h]chromene.
What is the SMILES notation for 2,2-dimethoxybenzo[h]chromene?
The canonical SMILES for 2,2-dimethoxybenzo[h]chromene is COC1(OC)C=Cc2ccc3ccccc3c2O1.
What is the InChIKey of 2,2-dimethoxybenzo[h]chromene?
The InChIKey is TXDCRBGISIOBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-16-15(17-2)10-9-12-8-7-11-5-3-4-6-13(11)14(12)18-15/h3-10H,1-2H3.
What are the key properties of 2,2-dimethoxybenzo[h]chromene?
2,2-dimethoxybenzo[h]chromene has a molecular weight of 242.27 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxybenzo[h]chromene is sourced from PubChem (CID 141176561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).