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

C30H24O6 — CID 72708168

IUPAC1-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol
SMILESCOc1cc(O)cc2c1-c1cc(-c3c(O)cc(OC)c4c3ccc3cc(O)ccc34)c(O)cc1CC2
InChIInChI=1S/C30H24O6/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/h5-14,31-34H,3-4H2,1-2H3
InChIKeyILWNTPWAVWLUTO-UHFFFAOYSA-N
MW480.52 g/mol
LogP6.27
Rot. Bonds3

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

1-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol (PubChem CID 72708168) has the molecular formula C30H24O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is 1-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol.

Molecular Properties

Compound Name1-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol
PubChem CID72708168
Molecular FormulaC30H24O6
Molecular Weight480.52 g/mol
Exact Mass480.16
IUPAC Name1-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol
SMILESCOc1cc(O)cc2c1-c1cc(-c3c(O)cc(OC)c4c3ccc3cc(O)ccc34)c(O)cc1CC2
InChIInChI=1S/C30H24O6/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/h5-14,31-34H,3-4H2,1-2H3
InChIKeyILWNTPWAVWLUTO-UHFFFAOYSA-N
XLogP6.27
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 56.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol?
The IUPAC name of 1-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol (CID 72708168) is 1-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol.
What is the SMILES notation for 1-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol?
The canonical SMILES for 1-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol is COc1cc(O)cc2c1-c1cc(-c3c(O)cc(OC)c4c3ccc3cc(O)ccc34)c(O)cc1CC2.
What is the InChIKey of 1-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol?
The InChIKey is ILWNTPWAVWLUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O6/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/h5-14,31-34H,3-4H2,1-2H3.
What are the key properties of 1-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol?
1-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol has a molecular weight of 480.52 g/mol, XLogP of 6.27, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol is sourced from PubChem (CID 72708168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).