7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol

C30H28O6 — CID 11705759

IUPAC7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol
SMILESCOc1cc(O)c2c(c1)CCc1cc(Oc3c(CCc4cccc(O)c4)cc(O)cc3OC)ccc1-2
InChIInChI=1S/C30H28O6/c1-34-25-15-20-9-8-19-14-24(10-11-26(19)29(20)27(33)17-25)36-30-21(13-23(32)16-28(30)35-2)7-6-18-4-3-5-22(31)12-18/h3-5,10-17,31-33H,6-9H2,1-2H3
InChIKeyRQCICFUXVUZTOM-UHFFFAOYSA-N
MW484.55 g/mol
LogP6.16
Rot. Bonds7

About 7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol

7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol (PubChem CID 11705759) has the molecular formula C30H28O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is 7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol.

Molecular Properties

Compound Name7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol
PubChem CID11705759
Molecular FormulaC30H28O6
Molecular Weight484.55 g/mol
Exact Mass484.19
IUPAC Name7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol
SMILESCOc1cc(O)c2c(c1)CCc1cc(Oc3c(CCc4cccc(O)c4)cc(O)cc3OC)ccc1-2
InChIInChI=1S/C30H28O6/c1-34-25-15-20-9-8-19-14-24(10-11-26(19)29(20)27(33)17-25)36-30-21(13-23(32)16-28(30)35-2)7-6-18-4-3-5-22(31)12-18/h3-5,10-17,31-33H,6-9H2,1-2H3
InChIKeyRQCICFUXVUZTOM-UHFFFAOYSA-N
XLogP6.16
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol?
The IUPAC name of 7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol (CID 11705759) is 7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol.
What is the SMILES notation for 7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol?
The canonical SMILES for 7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol is COc1cc(O)c2c(c1)CCc1cc(Oc3c(CCc4cccc(O)c4)cc(O)cc3OC)ccc1-2.
What is the InChIKey of 7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol?
The InChIKey is RQCICFUXVUZTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O6/c1-34-25-15-20-9-8-19-14-24(10-11-26(19)29(20)27(33)17-25)36-30-21(13-23(32)16-28(30)35-2)7-6-18-4-3-5-22(31)12-18/h3-5,10-17,31-33H,6-9H2,1-2H3.
What are the key properties of 7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol?
7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol has a molecular weight of 484.55 g/mol, XLogP of 6.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenoxy]-2-methoxy-9,10-dihydrophenanthren-4-ol is sourced from PubChem (CID 11705759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).