ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide

C18H26O3S — CID 91209459

IUPACethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
SMILESCC.CC.COc1ccc(Oc2ccc(C)cc2)cc1.O=S
InChIInChI=1S/C14H14O2.2C2H6.OS/c1-11-3-5-13(6-4-11)16-14-9-7-12(15-2)8-10-14;3*1-2/h3-10H,1-2H3;2*1-2H3;
InChIKeyGBIQSGMXSKHJGL-UHFFFAOYSA-N
MW322.47 g/mol
LogP5.51
Rot. Bonds3

About ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide

ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide (PubChem CID 91209459) has the molecular formula C18H26O3S and a molecular weight of 322.47 g/mol. Its IUPAC name is ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide.

Molecular Properties

Compound Nameethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
PubChem CID91209459
Molecular FormulaC18H26O3S
Molecular Weight322.47 g/mol
Exact Mass322.16
IUPAC Nameethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
SMILESCC.CC.COc1ccc(Oc2ccc(C)cc2)cc1.O=S
InChIInChI=1S/C14H14O2.2C2H6.OS/c1-11-3-5-13(6-4-11)16-14-9-7-12(15-2)8-10-14;3*1-2/h3-10H,1-2H3;2*1-2H3;
InChIKeyGBIQSGMXSKHJGL-UHFFFAOYSA-N
XLogP5.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.47
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
CID 144891551
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-(113C)methoxy-4-methylbenzene
CID 166176950
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
1-methoxy-4-methylbenzene;propane
CID 142064987
ethane;methanesulfonic acid;[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90873259
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate
CID 18683136
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide?
The IUPAC name of ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide (CID 91209459) is ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide.
What is the SMILES notation for ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide?
The canonical SMILES for ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide is CC.CC.COc1ccc(Oc2ccc(C)cc2)cc1.O=S.
What is the InChIKey of ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide?
The InChIKey is GBIQSGMXSKHJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.2C2H6.OS/c1-11-3-5-13(6-4-11)16-14-9-7-12(15-2)8-10-14;3*1-2/h3-10H,1-2H3;2*1-2H3;.
What are the key properties of ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide?
ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide has a molecular weight of 322.47 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide is sourced from PubChem (CID 91209459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).