6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one

C26H24O5 — CID 149241356

IUPAC6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one
SMILESCOc1ccc(COc2cc3c(cc2OCc2ccc(OC)cc2)C(=O)C=CC3)cc1
InChIInChI=1S/C26H24O5/c1-28-21-10-6-18(7-11-21)16-30-25-14-20-4-3-5-24(27)23(20)15-26(25)31-17-19-8-12-22(29-2)13-9-19/h3,5-15H,4,16-17H2,1-2H3
InChIKeyXMGBVFHSCVIENI-UHFFFAOYSA-N
MW416.47 g/mol
LogP5.16
Rot. Bonds8

About 6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one

6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one (PubChem CID 149241356) has the molecular formula C26H24O5 and a molecular weight of 416.47 g/mol. Its IUPAC name is 6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one.

Molecular Properties

Compound Name6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one
PubChem CID149241356
Molecular FormulaC26H24O5
Molecular Weight416.47 g/mol
Exact Mass416.16
IUPAC Name6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one
SMILESCOc1ccc(COc2cc3c(cc2OCc2ccc(OC)cc2)C(=O)C=CC3)cc1
InChIInChI=1S/C26H24O5/c1-28-21-10-6-18(7-11-21)16-30-25-14-20-4-3-5-24(27)23(20)15-26(25)31-17-19-8-12-22(29-2)13-9-19/h3,5-15H,4,16-17H2,1-2H3
InChIKeyXMGBVFHSCVIENI-UHFFFAOYSA-N
XLogP5.16
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
1-[[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]methyl]piperazine-2,3-dione
CID 90395251
[2-chloro-4,5-bis[(4-methoxyphenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 86746099
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene
CID 54397178
2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 139026989
2-methoxy-4-[2-(4-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methoxy]benzene
CID 157158831
2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081

Frequently Asked Questions

What is the IUPAC name of 6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one?
The IUPAC name of 6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one (CID 149241356) is 6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one.
What is the SMILES notation for 6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one?
The canonical SMILES for 6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one is COc1ccc(COc2cc3c(cc2OCc2ccc(OC)cc2)C(=O)C=CC3)cc1.
What is the InChIKey of 6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one?
The InChIKey is XMGBVFHSCVIENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O5/c1-28-21-10-6-18(7-11-21)16-30-25-14-20-4-3-5-24(27)23(20)15-26(25)31-17-19-8-12-22(29-2)13-9-19/h3,5-15H,4,16-17H2,1-2H3.
What are the key properties of 6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one?
6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one has a molecular weight of 416.47 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis[(4-methoxyphenyl)methoxy]-4H-naphthalen-1-one is sourced from PubChem (CID 149241356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).