(6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene

C27H26O5 — CID 92530267

IUPAC(6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene
SMILESCOc1ccc(/C=C/C[C@H]2Cc3cc4c(cc3O[C@@H]2c2ccc(OC)cc2)OCO4)cc1
InChIInChI=1S/C27H26O5/c1-28-22-10-6-18(7-11-22)4-3-5-20-14-21-15-25-26(31-17-30-25)16-24(21)32-27(20)19-8-12-23(29-2)13-9-19/h3-4,6-13,15-16,20,27H,5,14,17H2,1-2H3/b4-3+/t20-,27+/m0/s1
InChIKeyXJCYHVVLLSSJHZ-RRLLIVCOSA-N
MW430.50 g/mol
LogP5.83
Rot. Bonds6

About (6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene

(6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene (PubChem CID 92530267) has the molecular formula C27H26O5 and a molecular weight of 430.50 g/mol. Its IUPAC name is (6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene.

Molecular Properties

Compound Name(6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene
PubChem CID92530267
Molecular FormulaC27H26O5
Molecular Weight430.50 g/mol
Exact Mass430.18
IUPAC Name(6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene
SMILESCOc1ccc(/C=C/C[C@H]2Cc3cc4c(cc3O[C@@H]2c2ccc(OC)cc2)OCO4)cc1
InChIInChI=1S/C27H26O5/c1-28-22-10-6-18(7-11-22)4-3-5-20-14-21-15-25-26(31-17-30-25)16-24(21)32-27(20)19-8-12-23(29-2)13-9-19/h3-4,6-13,15-16,20,27H,5,14,17H2,1-2H3/b4-3+/t20-,27+/m0/s1
InChIKeyXJCYHVVLLSSJHZ-RRLLIVCOSA-N
XLogP5.83
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene with MolForge

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Related Compounds

[(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol
CID 171383652
1-[(2R,3R)-7-hydroxy-2-(4-hydroxyphenyl)-3-[3-(4-hydroxyphenyl)prop-2-enyl]-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3-(4-methoxyphenyl)propan-1-one
CID 163094405
[3-ethyl-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-yl] acetate
CID 163437966
(2R,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 163024349
(R)-(3,4-dimethoxyphenyl)-[(3R,5R,6R)-6-(3,4-dimethoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]oxan-3-yl]methanol
CID 73349111
5-ethynyl-6-[2-(4-methoxyphenyl)ethenyl]-1,3-benzodioxole
CID 71377967
(E)-1-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)but-3-en-2-one
CID 59296766
5-(3-phenylprop-2-enoxy)-1,3-benzodioxole
CID 54275545
6-[(Z)-2-(4-methoxyphenyl)ethenyl]-20-[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 156516466
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 15859200
5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione
CID 70679340
1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole
CID 25135888

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene?
The IUPAC name of (6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene (CID 92530267) is (6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene.
What is the SMILES notation for (6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene?
The canonical SMILES for (6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene is COc1ccc(/C=C/C[C@H]2Cc3cc4c(cc3O[C@@H]2c2ccc(OC)cc2)OCO4)cc1.
What is the InChIKey of (6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene?
The InChIKey is XJCYHVVLLSSJHZ-RRLLIVCOSA-N. The full InChI is InChI=1S/C27H26O5/c1-28-22-10-6-18(7-11-22)4-3-5-20-14-21-15-25-26(31-17-30-25)16-24(21)32-27(20)19-8-12-23(29-2)13-9-19/h3-4,6-13,15-16,20,27H,5,14,17H2,1-2H3/b4-3+/t20-,27+/m0/s1.
What are the key properties of (6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene?
(6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene has a molecular weight of 430.50 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene is sourced from PubChem (CID 92530267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).