2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol

C15H19ClO3 — CID 117454568

IUPAC2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol
SMILESCC(CO)c1c2c(c(Cl)c3c1OCCC3)OCCC2
InChIInChI=1S/C15H19ClO3/c1-9(8-17)12-10-4-2-7-19-15(10)13(16)11-5-3-6-18-14(11)12/h9,17H,2-8H2,1H3
InChIKeyFVZHZEQNBCTZMT-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.09
Rot. Bonds2

About 2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol

2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol (PubChem CID 117454568) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol
PubChem CID117454568
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol
SMILESCC(CO)c1c2c(c(Cl)c3c1OCCC3)OCCC2
InChIInChI=1S/C15H19ClO3/c1-9(8-17)12-10-4-2-7-19-15(10)13(16)11-5-3-6-18-14(11)12/h9,17H,2-8H2,1H3
InChIKeyFVZHZEQNBCTZMT-UHFFFAOYSA-N
XLogP3.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol with MolForge

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Related Compounds

3-amino-2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propanoic acid
CID 117496459
8-chloro-6-(1-hydroxypropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117400570
3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propanoic acid
CID 115010184
6-chloro-5-(1-hydroxypropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117363752
1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine
CID 115010145
2-(7-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117429999
6-(1-hydroxypropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117321993
2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117297524
2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol
CID 117283160
(2S)-2-[(1R)-1-[8-chloro-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-5-yl]ethoxy]propan-1-ol
CID 71110839
1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol
CID 84690833
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine
CID 115010670

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol?
The IUPAC name of 2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol (CID 117454568) is 2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol.
What is the SMILES notation for 2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol?
The canonical SMILES for 2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol is CC(CO)c1c2c(c(Cl)c3c1OCCC3)OCCC2.
What is the InChIKey of 2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol?
The InChIKey is FVZHZEQNBCTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-9(8-17)12-10-4-2-7-19-15(10)13(16)11-5-3-6-18-14(11)12/h9,17H,2-8H2,1H3.
What are the key properties of 2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol?
2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol has a molecular weight of 282.77 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol is sourced from PubChem (CID 117454568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).