1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene

C18H18O2S — CID 175026000

IUPAC1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene
SMILESc1cc(Sc2ccc(OC3CC3)cc2)ccc1OC1CC1
InChIInChI=1S/C18H18O2S/c1-2-13(1)19-15-5-9-17(10-6-15)21-18-11-7-16(8-12-18)20-14-3-4-14/h5-14H,1-4H2
InChIKeyLQVSJQCCDAHFJI-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.92
Rot. Bonds6

About 1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene

1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene (PubChem CID 175026000) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene
PubChem CID175026000
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene
SMILESc1cc(Sc2ccc(OC3CC3)cc2)ccc1OC1CC1
InChIInChI=1S/C18H18O2S/c1-2-13(1)19-15-5-9-17(10-6-15)21-18-11-7-16(8-12-18)20-14-3-4-14/h5-14H,1-4H2
InChIKeyLQVSJQCCDAHFJI-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-4-cyclopropyloxybenzene
CID 50998694
2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol
CID 54259316
4-(4-methylsulfanylphenoxy)thiane
CID 134106830
4-cyclopropyloxybenzaldehyde
CID 71423039
4-(4-cyclopropyloxyphenyl)aniline
CID 114519885
[4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229832
1-cyclopropyloxy-4-[2-(4-cyclopropyloxyphenyl)propan-2-yl]benzene
CID 175031556
4-(4-bromophenoxy)cyclohexan-1-amine
CID 16756742
4-(4-methoxyphenoxy)cyclohexan-1-amine
CID 16756065
1-bromo-4-cyclopentyloxybenzene
CID 22599958
2-cyclopentyloxy-6-hydroxysulfanylnaphthalene
CID 135175413
1-cyclopropyloxy-4-prop-2-enylbenzene
CID 114520509

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene?
The IUPAC name of 1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene (CID 175026000) is 1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene.
What is the SMILES notation for 1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene?
The canonical SMILES for 1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene is c1cc(Sc2ccc(OC3CC3)cc2)ccc1OC1CC1.
What is the InChIKey of 1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene?
The InChIKey is LQVSJQCCDAHFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c1-2-13(1)19-15-5-9-17(10-6-15)21-18-11-7-16(8-12-18)20-14-3-4-14/h5-14H,1-4H2.
What are the key properties of 1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene?
1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene has a molecular weight of 298.41 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene is sourced from PubChem (CID 175026000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).