3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol

C30H26O6 — CID 11465808

IUPAC3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol
SMILESCOc1cc(O)cc2c1-c1cc(-c3c(O)cc(OC)c4c3CCc3cc(O)ccc3-4)c(O)cc1CC2
InChIInChI=1S/C30H26O6/c1-35-26-12-19(32)10-17-4-3-16-11-24(33)23(13-22(16)28(17)26)29-21-7-5-15-9-18(31)6-8-20(15)30(21)27(36-2)14-25(29)34/h6,8-14,31-34H,3-5,7H2,1-2H3
InChIKeyHQFURZDOSPYSTB-UHFFFAOYSA-N
MW482.53 g/mol
LogP5.72
Rot. Bonds3

About 3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol

3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol (PubChem CID 11465808) has the molecular formula C30H26O6 and a molecular weight of 482.53 g/mol. Its IUPAC name is 3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol.

Molecular Properties

Compound Name3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol
PubChem CID11465808
Molecular FormulaC30H26O6
Molecular Weight482.53 g/mol
Exact Mass482.17
IUPAC Name3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol
SMILESCOc1cc(O)cc2c1-c1cc(-c3c(O)cc(OC)c4c3CCc3cc(O)ccc3-4)c(O)cc1CC2
InChIInChI=1S/C30H26O6/c1-35-26-12-19(32)10-17-4-3-16-11-24(33)23(13-22(16)28(17)26)29-21-7-5-15-9-18(31)6-8-20(15)30(21)27(36-2)14-25(29)34/h6,8-14,31-34H,3-5,7H2,1-2H3
InChIKeyHQFURZDOSPYSTB-UHFFFAOYSA-N
XLogP5.72
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 55.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol?
The IUPAC name of 3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol (CID 11465808) is 3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol.
What is the SMILES notation for 3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol?
The canonical SMILES for 3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol is COc1cc(O)cc2c1-c1cc(-c3c(O)cc(OC)c4c3CCc3cc(O)ccc3-4)c(O)cc1CC2.
What is the InChIKey of 3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol?
The InChIKey is HQFURZDOSPYSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O6/c1-35-26-12-19(32)10-17-4-3-16-11-24(33)23(13-22(16)28(17)26)29-21-7-5-15-9-18(31)6-8-20(15)30(21)27(36-2)14-25(29)34/h6,8-14,31-34H,3-5,7H2,1-2H3.
What are the key properties of 3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol?
3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol has a molecular weight of 482.53 g/mol, XLogP of 5.72, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-5-methoxy-9,10-dihydrophenanthrene-2,7-diol is sourced from PubChem (CID 11465808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).