(6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene

C19H20O5 — CID 6993164

IUPAC(6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
SMILESCOc1ccc([C@@H]2C[C@@](C)(OC)Oc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C19H20O5/c1-19(21-3)10-15(12-4-6-13(20-2)7-5-12)14-8-17-18(23-11-22-17)9-16(14)24-19/h4-9,15H,10-11H2,1-3H3/t15-,19-/m0/s1
InChIKeyYIILNGOEQZPRMG-KXBFYZLASA-N
MW328.36 g/mol
LogP3.70
Rot. Bonds3

About (6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene

(6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene (PubChem CID 6993164) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene.

Molecular Properties

Compound Name(6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
PubChem CID6993164
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
SMILESCOc1ccc([C@@H]2C[C@@](C)(OC)Oc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C19H20O5/c1-19(21-3)10-15(12-4-6-13(20-2)7-5-12)14-8-17-18(23-11-22-17)9-16(14)24-19/h4-9,15H,10-11H2,1-3H3/t15-,19-/m0/s1
InChIKeyYIILNGOEQZPRMG-KXBFYZLASA-N
XLogP3.70
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6R,8R)-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 92855581
8-(4-methoxyphenyl)-6,6,7-trimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 18337459
1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidin-1-ium
CID 7601809
1-[(6R,7S,8S)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidin-1-ium
CID 7601886
1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 7601810
1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole
CID 25135888
N,N-dimethyl-4-[(6R,8R)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]aniline
CID 987535
N,N-dimethyl-4-[(6R,8S)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]aniline
CID 987530
(6R,8S)-8-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
CID 6993170
(6R,7R,8S)-8-(2,5-dimethoxyphenyl)-6-methoxy-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 40595758
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 15859200
(2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile
CID 23238127

Frequently Asked Questions

What is the IUPAC name of (6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene?
The IUPAC name of (6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene (CID 6993164) is (6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene.
What is the SMILES notation for (6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene?
The canonical SMILES for (6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene is COc1ccc([C@@H]2C[C@@](C)(OC)Oc3cc4c(cc32)OCO4)cc1.
What is the InChIKey of (6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene?
The InChIKey is YIILNGOEQZPRMG-KXBFYZLASA-N. The full InChI is InChI=1S/C19H20O5/c1-19(21-3)10-15(12-4-6-13(20-2)7-5-12)14-8-17-18(23-11-22-17)9-16(14)24-19/h4-9,15H,10-11H2,1-3H3/t15-,19-/m0/s1.
What are the key properties of (6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene?
(6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene has a molecular weight of 328.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene is sourced from PubChem (CID 6993164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).