4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol

C28H24O4 — CID 139959756

IUPAC4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol
SMILESCOc1cc(C2(c3ccc(O)c(OC)c3)c3ccccc3Cc3ccccc32)ccc1O
InChIInChI=1S/C28H24O4/c1-31-26-16-20(11-13-24(26)29)28(21-12-14-25(30)27(17-21)32-2)22-9-5-3-7-18(22)15-19-8-4-6-10-23(19)28/h3-14,16-17,29-30H,15H2,1-2H3
InChIKeyBALCFGWFEVPJJQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.40
Rot. Bonds4

About 4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol

4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol (PubChem CID 139959756) has the molecular formula C28H24O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol
PubChem CID139959756
Molecular FormulaC28H24O4
Molecular Weight424.50 g/mol
Exact Mass424.17
IUPAC Name4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol
SMILESCOc1cc(C2(c3ccc(O)c(OC)c3)c3ccccc3Cc3ccccc32)ccc1O
InChIInChI=1S/C28H24O4/c1-31-26-16-20(11-13-24(26)29)28(21-12-14-25(30)27(17-21)32-2)22-9-5-3-7-18(22)15-19-8-4-6-10-23(19)28/h3-14,16-17,29-30H,15H2,1-2H3
InChIKeyBALCFGWFEVPJJQ-UHFFFAOYSA-N
XLogP5.40
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol with MolForge

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Related Compounds

methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate
CID 146506690
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
2-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]phenol
CID 139816614
5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol
CID 150168227
2-methoxy-4-[1-(methylaminomethyl)cyclopropyl]phenol
CID 105425961
2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol
CID 160930639
(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one
CID 5386986
1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79701029
[4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate
CID 140948284
azane;2-methoxyphenol
CID 172717837
3-methoxy-9,10-dihydrophenanthren-2-ol
CID 14386782
2-methoxyphenol;molecular bromine
CID 141484212

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol?
The IUPAC name of 4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol (CID 139959756) is 4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol?
The canonical SMILES for 4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol is COc1cc(C2(c3ccc(O)c(OC)c3)c3ccccc3Cc3ccccc32)ccc1O.
What is the InChIKey of 4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol?
The InChIKey is BALCFGWFEVPJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O4/c1-31-26-16-20(11-13-24(26)29)28(21-12-14-25(30)27(17-21)32-2)22-9-5-3-7-18(22)15-19-8-4-6-10-23(19)28/h3-14,16-17,29-30H,15H2,1-2H3.
What are the key properties of 4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol?
4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol has a molecular weight of 424.50 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-hydroxy-3-methoxyphenyl)-10H-anthracen-9-yl]-2-methoxyphenol is sourced from PubChem (CID 139959756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).