1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol

C30H26O6 — CID 162931660

IUPAC1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
SMILESCOc1cc(O)cc2c1-c1ccc(Oc3c(O)cc(OC)c4c3CCc3cc(O)ccc3-4)cc1CC2
InChIInChI=1S/C30H26O6/c1-34-26-14-20(32)12-18-4-3-17-13-21(7-10-22(17)28(18)26)36-30-24-8-5-16-11-19(31)6-9-23(16)29(24)27(35-2)15-25(30)33/h6-7,9-15,31-33H,3-5,8H2,1-2H3
InChIKeyQYMFCLDONOXYGG-UHFFFAOYSA-N
MW482.53 g/mol
LogP6.14
Rot. Bonds4

About 1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol

1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol (PubChem CID 162931660) has the molecular formula C30H26O6 and a molecular weight of 482.53 g/mol. Its IUPAC name is 1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol.

Molecular Properties

Compound Name1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
PubChem CID162931660
Molecular FormulaC30H26O6
Molecular Weight482.53 g/mol
Exact Mass482.17
IUPAC Name1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
SMILESCOc1cc(O)cc2c1-c1ccc(Oc3c(O)cc(OC)c4c3CCc3cc(O)ccc3-4)cc1CC2
InChIInChI=1S/C30H26O6/c1-34-26-14-20(32)12-18-4-3-17-13-21(7-10-22(17)28(18)26)36-30-24-8-5-16-11-19(31)6-9-23(16)29(24)27(35-2)15-25(30)33/h6-7,9-15,31-33H,3-5,8H2,1-2H3
InChIKeyQYMFCLDONOXYGG-UHFFFAOYSA-N
XLogP6.14
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol
CID 102026936
2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
CID 24762424
3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol
CID 71437517
4-[4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthrene-1,7-diol
CID 163037032
7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54106372
methyl 8-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-11-methoxy-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-4-carboxylate
CID 162914300
5,7-dimethoxy-9,10-dihydrophenanthrene-2,4,6-triol
CID 10446799
19-methoxy-2-oxapentacyclo[22.2.2.13,7.010,15.016,21]nonacosa-1(26),3,5,7(29),10(15),11,13,16(21),17,19,24,27-dodecaene-4,12-diol
CID 11004659
(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8,11-triol
CID 162926206
[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-9-methoxy-1,2,4,5-tetrahydronaphtho[1,2-g][1]benzofuran-1-yl]methyl acetate
CID 163087190
3,4,7-trimethoxy-9H-fluoren-2-ol
CID 174383532
6-heptoxy-19-hydroxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,11,13,17(22),18,20-nonaene-12,13-dicarbonitrile
CID 142316254

Frequently Asked Questions

What is the IUPAC name of 1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol?
The IUPAC name of 1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol (CID 162931660) is 1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol.
What is the SMILES notation for 1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol?
The canonical SMILES for 1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol is COc1cc(O)cc2c1-c1ccc(Oc3c(O)cc(OC)c4c3CCc3cc(O)ccc3-4)cc1CC2.
What is the InChIKey of 1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol?
The InChIKey is QYMFCLDONOXYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O6/c1-34-26-14-20(32)12-18-4-3-17-13-21(7-10-22(17)28(18)26)36-30-24-8-5-16-11-19(31)6-9-23(16)29(24)27(35-2)15-25(30)33/h6-7,9-15,31-33H,3-5,8H2,1-2H3.
What are the key properties of 1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol?
1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol has a molecular weight of 482.53 g/mol, XLogP of 6.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol is sourced from PubChem (CID 162931660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).