1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone

C26H24O5 — CID 14235945

IUPAC1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone
SMILESCOc1c(-c2ccc3cc(C)c(C(C)=O)c(O)c3c2OC)ccc2cc(C)cc(O)c12
InChIInChI=1S/C26H24O5/c1-13-10-16-6-8-18(25(30-4)22(16)20(28)11-13)19-9-7-17-12-14(2)21(15(3)27)24(29)23(17)26(19)31-5/h6-12,28-29H,1-5H3
InChIKeyKRLFPNNXZHHMGQ-UHFFFAOYSA-N
MW416.47 g/mol
LogP5.91
Rot. Bonds4

About 1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone

1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone (PubChem CID 14235945) has the molecular formula C26H24O5 and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone
PubChem CID14235945
Molecular FormulaC26H24O5
Molecular Weight416.47 g/mol
Exact Mass416.16
IUPAC Name1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone
SMILESCOc1c(-c2ccc3cc(C)c(C(C)=O)c(O)c3c2OC)ccc2cc(C)cc(O)c12
InChIInChI=1S/C26H24O5/c1-13-10-16-6-8-18(25(30-4)22(16)20(28)11-13)19-9-7-17-12-14(2)21(15(3)27)24(29)23(17)26(19)31-5/h6-12,28-29H,1-5H3
InChIKeyKRLFPNNXZHHMGQ-UHFFFAOYSA-N
XLogP5.91
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,8-dimethoxy-3,6-dimethylnaphthalen-2-yl)ethanone
CID 872909
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone
CID 84668084
1-(2-hydroxy-4,6-dimethylphenyl)ethanone
CID 139057763
1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone
CID 90676491
acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene
CID 87951546
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
7-methoxy-3-methylnaphthalen-1-ol
CID 14832999
1-(2-hydroxy-3-methoxypyren-1-yl)ethanone
CID 165376941
8-acetyl-6-hydroxy-7-methoxychromen-2-one
CID 161217673
1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone
CID 13085663
1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone
CID 57373263
1-hydroxy-8-methoxy-11-(methoxymethoxy)-3-methylbenzo[a]anthracene-7,12-dione
CID 11749261

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone?
The IUPAC name of 1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone (CID 14235945) is 1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone?
The canonical SMILES for 1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone is COc1c(-c2ccc3cc(C)c(C(C)=O)c(O)c3c2OC)ccc2cc(C)cc(O)c12.
What is the InChIKey of 1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone?
The InChIKey is KRLFPNNXZHHMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O5/c1-13-10-16-6-8-18(25(30-4)22(16)20(28)11-13)19-9-7-17-12-14(2)21(15(3)27)24(29)23(17)26(19)31-5/h6-12,28-29H,1-5H3.
What are the key properties of 1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone?
1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone has a molecular weight of 416.47 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone is sourced from PubChem (CID 14235945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).