3-[(1-methoxycyclobutyl)methylsulfanyl]phenol

C12H16O2S — CID 126815068

IUPAC3-[(1-methoxycyclobutyl)methylsulfanyl]phenol
SMILESCOC1(CSc2cccc(O)c2)CCC1
InChIInChI=1S/C12H16O2S/c1-14-12(6-3-7-12)9-15-11-5-2-4-10(13)8-11/h2,4-5,8,13H,3,6-7,9H2,1H3
InChIKeyUSBFWCBYMZFQCH-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.05
Rot. Bonds4

About 3-[(1-methoxycyclobutyl)methylsulfanyl]phenol

3-[(1-methoxycyclobutyl)methylsulfanyl]phenol (PubChem CID 126815068) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-[(1-methoxycyclobutyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[(1-methoxycyclobutyl)methylsulfanyl]phenol
PubChem CID126815068
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name3-[(1-methoxycyclobutyl)methylsulfanyl]phenol
SMILESCOC1(CSc2cccc(O)c2)CCC1
InChIInChI=1S/C12H16O2S/c1-14-12(6-3-7-12)9-15-11-5-2-4-10(13)8-11/h2,4-5,8,13H,3,6-7,9H2,1H3
InChIKeyUSBFWCBYMZFQCH-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylcyclobutyl)methylsulfanyl]phenol
CID 130601685
3-(cyclopropylmethylsulfanyl)phenol
CID 112623566
3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
3-(2-hydroxypropylsulfanyl)phenol
CID 104590031
3-[2-(ethylamino)ethylsulfanyl]phenol
CID 104591079
3-[2-(2-methylphenoxy)ethylsulfanyl]phenol
CID 104590716
3-(3-ethoxypropylsulfanyl)phenol
CID 104590102
2-[1-[(3-methoxyphenyl)sulfanylmethyl]cyclopropyl]acetic acid
CID 65496783
3-(cyclopropylmethoxymethylsulfanyl)phenol
CID 106930422
3-(3-hydroxypropylsulfanyl)phenol
CID 70270540
3-(2-hydroxybutylsulfanyl)phenol
CID 104590052
5-[(3-hydroxyphenyl)sulfanylmethyl]-2-methoxybenzonitrile
CID 104590579

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxycyclobutyl)methylsulfanyl]phenol?
The IUPAC name of 3-[(1-methoxycyclobutyl)methylsulfanyl]phenol (CID 126815068) is 3-[(1-methoxycyclobutyl)methylsulfanyl]phenol.
What is the SMILES notation for 3-[(1-methoxycyclobutyl)methylsulfanyl]phenol?
The canonical SMILES for 3-[(1-methoxycyclobutyl)methylsulfanyl]phenol is COC1(CSc2cccc(O)c2)CCC1.
What is the InChIKey of 3-[(1-methoxycyclobutyl)methylsulfanyl]phenol?
The InChIKey is USBFWCBYMZFQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-14-12(6-3-7-12)9-15-11-5-2-4-10(13)8-11/h2,4-5,8,13H,3,6-7,9H2,1H3.
What are the key properties of 3-[(1-methoxycyclobutyl)methylsulfanyl]phenol?
3-[(1-methoxycyclobutyl)methylsulfanyl]phenol has a molecular weight of 224.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxycyclobutyl)methylsulfanyl]phenol is sourced from PubChem (CID 126815068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).