(5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol

C16H19IOS — CID 79684536

IUPAC(5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCc1c(C)c(C)c(C(O)c2csc(I)c2)c(C)c1C
InChIInChI=1S/C16H19IOS/c1-8-9(2)11(4)15(12(5)10(8)3)16(18)13-6-14(17)19-7-13/h6-7,16,18H,1-5H3
InChIKeyVBYHLPKLSQKFBH-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.98
Rot. Bonds2

About (5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol

(5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol (PubChem CID 79684536) has the molecular formula C16H19IOS and a molecular weight of 386.30 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
PubChem CID79684536
Molecular FormulaC16H19IOS
Molecular Weight386.30 g/mol
Exact Mass386.02
IUPAC Name(5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCc1c(C)c(C)c(C(O)c2csc(I)c2)c(C)c1C
InChIInChI=1S/C16H19IOS/c1-8-9(2)11(4)15(12(5)10(8)3)16(18)13-6-14(17)19-7-13/h6-7,16,18H,1-5H3
InChIKeyVBYHLPKLSQKFBH-UHFFFAOYSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The IUPAC name of (5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol (CID 79684536) is (5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol.
What is the SMILES notation for (5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The canonical SMILES for (5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol is Cc1c(C)c(C)c(C(O)c2csc(I)c2)c(C)c1C.
What is the InChIKey of (5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The InChIKey is VBYHLPKLSQKFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IOS/c1-8-9(2)11(4)15(12(5)10(8)3)16(18)13-6-14(17)19-7-13/h6-7,16,18H,1-5H3.
What are the key properties of (5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
(5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol has a molecular weight of 386.30 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol is sourced from PubChem (CID 79684536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).