8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol

C30H26O6 — CID 102026936

IUPAC8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol
SMILESCOc1cc(O)c2c(c1)CCc1cc(Oc3cc(OC)c(O)c4c3CCc3cc(O)ccc3-4)ccc1-2
InChIInChI=1S/C30H26O6/c1-34-21-13-18-4-3-17-12-20(7-10-22(17)28(18)25(32)14-21)36-26-15-27(35-2)30(33)29-23-9-6-19(31)11-16(23)5-8-24(26)29/h6-7,9-15,31-33H,3-5,8H2,1-2H3
InChIKeyVZKMEMDCBSYFTF-UHFFFAOYSA-N
MW482.53 g/mol
LogP6.14
Rot. Bonds4

About 8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol

8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol (PubChem CID 102026936) has the molecular formula C30H26O6 and a molecular weight of 482.53 g/mol. Its IUPAC name is 8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol.

Molecular Properties

Compound Name8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol
PubChem CID102026936
Molecular FormulaC30H26O6
Molecular Weight482.53 g/mol
Exact Mass482.17
IUPAC Name8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol
SMILESCOc1cc(O)c2c(c1)CCc1cc(Oc3cc(OC)c(O)c4c3CCc3cc(O)ccc3-4)ccc1-2
InChIInChI=1S/C30H26O6/c1-34-21-13-18-4-3-17-12-20(7-10-22(17)28(18)25(32)14-21)36-26-15-27(35-2)30(33)29-23-9-6-19(31)11-16(23)5-8-24(26)29/h6-7,9-15,31-33H,3-5,8H2,1-2H3
InChIKeyVZKMEMDCBSYFTF-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

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol?
The IUPAC name of 8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol (CID 102026936) is 8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol.
What is the SMILES notation for 8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol?
The canonical SMILES for 8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol is COc1cc(O)c2c(c1)CCc1cc(Oc3cc(OC)c(O)c4c3CCc3cc(O)ccc3-4)ccc1-2.
What is the InChIKey of 8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol?
The InChIKey is VZKMEMDCBSYFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O6/c1-34-21-13-18-4-3-17-12-20(7-10-22(17)28(18)25(32)14-21)36-26-15-27(35-2)30(33)29-23-9-6-19(31)11-16(23)5-8-24(26)29/h6-7,9-15,31-33H,3-5,8H2,1-2H3.
What are the key properties of 8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol?
8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-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 8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol is sourced from PubChem (CID 102026936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).