4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane

C20H32O2S — CID 145407585

IUPAC4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane
SMILESCC(C)S(C)(C(C)C)C(C)C.Oc1ccc(-c2ccco2)cc1
InChIInChI=1S/C10H8O2.C10H24S/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;1-8(2)11(7,9(3)4)10(5)6/h1-7,11H;8-10H,1-7H3
InChIKeyIRTWVZVSIFZDJD-UHFFFAOYSA-N
MW336.54 g/mol
LogP6.30
Rot. Bonds4

About 4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane

4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane (PubChem CID 145407585) has the molecular formula C20H32O2S and a molecular weight of 336.54 g/mol. Its IUPAC name is 4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane.

Molecular Properties

Compound Name4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane
PubChem CID145407585
Molecular FormulaC20H32O2S
Molecular Weight336.54 g/mol
Exact Mass336.21
IUPAC Name4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane
SMILESCC(C)S(C)(C(C)C)C(C)C.Oc1ccc(-c2ccco2)cc1
InChIInChI=1S/C10H8O2.C10H24S/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;1-8(2)11(7,9(3)4)10(5)6/h1-7,11H;8-10H,1-7H3
InChIKeyIRTWVZVSIFZDJD-UHFFFAOYSA-N
XLogP6.30
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.54
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(furan-2-yl)phenyl]-N-methylethanamine
CID 63949148
ethane;2-phenylfuran
CID 143157762
4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride
CID 23083525
propan-2-yl 4-(furan-2-yl)benzoate
CID 168528785
N-[4-(furan-2-yl)phenyl]-3-methylbutanamide
CID 168525798
ethane;2-(furan-2-yl)furan
CID 161366084
(2S)-2-amino-2-[4-(furan-2-yl)phenyl]ethanol
CID 66514043
4-(furan-2-yl)benzoyl chloride
CID 7537504
2-[4-(furan-2-yl)phenyl]ethanol
CID 168524630
4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenol
CID 83794182
4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168525452
[4-(furan-2-yl)phenyl]-phenylmethanone
CID 14657656

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane?
The IUPAC name of 4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane (CID 145407585) is 4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane.
What is the SMILES notation for 4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane?
The canonical SMILES for 4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane is CC(C)S(C)(C(C)C)C(C)C.Oc1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane?
The InChIKey is IRTWVZVSIFZDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.C10H24S/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;1-8(2)11(7,9(3)4)10(5)6/h1-7,11H;8-10H,1-7H3.
What are the key properties of 4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane?
4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane has a molecular weight of 336.54 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)phenol;methyl-tri(propan-2-yl)-λ4-sulfane is sourced from PubChem (CID 145407585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).