1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol

C32H26O8 — CID 86198082

IUPAC1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol
SMILESCOc1cc2ccc3c(-c4c(O)cc(OC)c5c4ccc4cc(OC)c(O)cc45)c(O)cc(OC)c3c2cc1O
InChIInChI=1S/C32H26O8/c1-37-25-9-15-5-7-17-29(19(15)11-21(25)33)27(39-3)13-23(35)31(17)32-18-8-6-16-10-26(38-2)22(34)12-20(16)30(18)28(40-4)14-24(32)36/h5-14,33-36H,1-4H3
InChIKeyNWBWQNGQXMTARB-UHFFFAOYSA-N
MW538.55 g/mol
LogP6.82
Rot. Bonds5

About 1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol

1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol (PubChem CID 86198082) has the molecular formula C32H26O8 and a molecular weight of 538.55 g/mol. Its IUPAC name is 1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol.

Molecular Properties

Compound Name1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol
PubChem CID86198082
Molecular FormulaC32H26O8
Molecular Weight538.55 g/mol
Exact Mass538.16
IUPAC Name1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol
SMILESCOc1cc2ccc3c(-c4c(O)cc(OC)c5c4ccc4cc(OC)c(O)cc45)c(O)cc(OC)c3c2cc1O
InChIInChI=1S/C32H26O8/c1-37-25-9-15-5-7-17-29(19(15)11-21(25)33)27(39-3)13-23(35)31(17)32-18-8-6-16-10-26(38-2)22(34)12-20(16)30(18)28(40-4)14-24(32)36/h5-14,33-36H,1-4H3
InChIKeyNWBWQNGQXMTARB-UHFFFAOYSA-N
XLogP6.82
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.55
LogP ≤ 56.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol
CID 150383298
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CID 177471774
2,8-dimethoxybenzo[c]phenanthridine-3,9-diol
CID 135779119
5-methoxybenzene-1,2,4-triol
CID 20551665
4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol
CID 162881425
5,7-dimethoxyphenanthrene-1,2,3-triol
CID 71597149
5,6,7-trimethoxyphenanthren-2-ol
CID 11997529
6-(4-hydroxy-3-methoxyphenyl)naphthalen-1-ol
CID 56648216
6-hydroxy-7-methoxynaphthalene-2-carbonitrile
CID 121009113
4-iodo-2,5-dimethoxyphenol
CID 10850321
6,7,8-trimethoxynaphthalen-1-ol
CID 15073678
1-(1,3-benzodioxol-4-ylmethyl)-6-methoxyisoquinolin-7-ol
CID 162861312

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol?
The IUPAC name of 1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol (CID 86198082) is 1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol.
What is the SMILES notation for 1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol?
The canonical SMILES for 1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol is COc1cc2ccc3c(-c4c(O)cc(OC)c5c4ccc4cc(OC)c(O)cc45)c(O)cc(OC)c3c2cc1O.
What is the InChIKey of 1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol?
The InChIKey is NWBWQNGQXMTARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O8/c1-37-25-9-15-5-7-17-29(19(15)11-21(25)33)27(39-3)13-23(35)31(17)32-18-8-6-16-10-26(38-2)22(34)12-20(16)30(18)28(40-4)14-24(32)36/h5-14,33-36H,1-4H3.
What are the key properties of 1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol?
1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol has a molecular weight of 538.55 g/mol, XLogP of 6.82, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol is sourced from PubChem (CID 86198082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).