(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol

C14H18O4 — CID 117378871

IUPAC(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol
SMILESCOc1c2c(c(CO)c3c1OCCC3)OCCC2
InChIInChI=1S/C14H18O4/c1-16-13-10-5-3-6-17-12(10)11(8-15)9-4-2-7-18-14(9)13/h15H,2-8H2,1H3
InChIKeyCEKPPPLGRBWQTJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.84
Rot. Bonds2

About (5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol

(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol (PubChem CID 117378871) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol
PubChem CID117378871
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol
SMILESCOc1c2c(c(CO)c3c1OCCC3)OCCC2
InChIInChI=1S/C14H18O4/c1-16-13-10-5-3-6-17-12(10)11(8-15)9-4-2-7-18-14(9)13/h15H,2-8H2,1H3
InChIKeyCEKPPPLGRBWQTJ-UHFFFAOYSA-N
XLogP1.84
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one
CID 117442560
2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine
CID 117412713
1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one
CID 117373298
2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid
CID 117474709
O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine
CID 117380937
8-(isocyanatomethyl)-4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
CID 117369779
ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate
CID 117471886
1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine
CID 115010145
4-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)butan-2-one
CID 116986455
3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propanoic acid
CID 115010184
2-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanol
CID 117400428
10-(isocyanatomethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol
CID 117406838

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol?
The IUPAC name of (5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol (CID 117378871) is (5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol.
What is the SMILES notation for (5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol?
The canonical SMILES for (5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol is COc1c2c(c(CO)c3c1OCCC3)OCCC2.
What is the InChIKey of (5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol?
The InChIKey is CEKPPPLGRBWQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-16-13-10-5-3-6-17-12(10)11(8-15)9-4-2-7-18-14(9)13/h15H,2-8H2,1H3.
What are the key properties of (5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol?
(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol has a molecular weight of 250.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol is sourced from PubChem (CID 117378871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).