1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene

C30H24O4S — CID 58133164

IUPAC1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene
SMILESCc1ccc(S(=O)(=O)c2ccc(Oc3cccc4c(OCc5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C30H24O4S/c1-22-13-17-25(18-14-22)35(31,32)26-19-15-24(16-20-26)34-30-12-6-9-27-28(30)10-5-11-29(27)33-21-23-7-3-2-4-8-23/h2-20H,21H2,1H3
InChIKeyWMHBTBNYTDPPEE-UHFFFAOYSA-N
MW480.59 g/mol
LogP7.35
Rot. Bonds7

About 1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene

1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene (PubChem CID 58133164) has the molecular formula C30H24O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene
PubChem CID58133164
Molecular FormulaC30H24O4S
Molecular Weight480.59 g/mol
Exact Mass480.14
IUPAC Name1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene
SMILESCc1ccc(S(=O)(=O)c2ccc(Oc3cccc4c(OCc5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C30H24O4S/c1-22-13-17-25(18-14-22)35(31,32)26-19-15-24(16-20-26)34-30-12-6-9-27-28(30)10-5-11-29(27)33-21-23-7-3-2-4-8-23/h2-20H,21H2,1H3
InChIKeyWMHBTBNYTDPPEE-UHFFFAOYSA-N
XLogP7.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene
CID 141431918
1-methyl-4-(2-phenylmethoxyphenoxy)benzene
CID 12993342
1,5-bis(4-methylphenoxy)naphthalene;methane
CID 159940982
1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[1-[4-(4-methylphenyl)sulfonylphenyl]propoxy]naphthalene
CID 70964781
1,3-bis[[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]methyl]benzene
CID 139826967
1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene
CID 176847126
1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158339825
1-phenylmethoxy-2-[4-[[4-[[4-(2-phenylmethoxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylbenzene
CID 139826912
1,5-bis[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2,6-bis[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2,7-bis[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzene
CID 161302751
[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 58021566
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
1-(4-phenylmethoxyphenyl)sulfonyl-4-[2-[2-[2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 139826974

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene?
The IUPAC name of 1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene (CID 58133164) is 1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene.
What is the SMILES notation for 1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene?
The canonical SMILES for 1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene is Cc1ccc(S(=O)(=O)c2ccc(Oc3cccc4c(OCc5ccccc5)cccc34)cc2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene?
The InChIKey is WMHBTBNYTDPPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O4S/c1-22-13-17-25(18-14-22)35(31,32)26-19-15-24(16-20-26)34-30-12-6-9-27-28(30)10-5-11-29(27)33-21-23-7-3-2-4-8-23/h2-20H,21H2,1H3.
What are the key properties of 1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene?
1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene has a molecular weight of 480.59 g/mol, XLogP of 7.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene is sourced from PubChem (CID 58133164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).