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

C17H22O2S — CID 81119806

IUPAC(4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCOc1csc(C(O)c2c(C)c(C)c(C)c(C)c2C)c1
InChIInChI=1S/C17H22O2S/c1-9-10(2)12(4)16(13(5)11(9)3)17(18)15-7-14(19-6)8-20-15/h7-8,17-18H,1-6H3
InChIKeyIOPDCMPPHTYFPL-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.38
Rot. Bonds3

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

(4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol (PubChem CID 81119806) has the molecular formula C17H22O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is (4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol.

Molecular Properties

Compound Name(4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
PubChem CID81119806
Molecular FormulaC17H22O2S
Molecular Weight290.43 g/mol
Exact Mass290.13
IUPAC Name(4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCOc1csc(C(O)c2c(C)c(C)c(C)c(C)c2C)c1
InChIInChI=1S/C17H22O2S/c1-9-10(2)12(4)16(13(5)11(9)3)17(18)15-7-14(19-6)8-20-15/h7-8,17-18H,1-6H3
InChIKeyIOPDCMPPHTYFPL-UHFFFAOYSA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-4,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 106682646
(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115821638
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
(4-methoxy-3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 83068716
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanol
CID 115805532
(2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81123580
(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81123973
(2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115794422
(4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
CID 114981729
(6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol
CID 81119910
(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114982389

Frequently Asked Questions

What is the IUPAC name of (4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The IUPAC name of (4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol (CID 81119806) is (4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol.
What is the SMILES notation for (4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The canonical SMILES for (4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol is COc1csc(C(O)c2c(C)c(C)c(C)c(C)c2C)c1.
What is the InChIKey of (4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The InChIKey is IOPDCMPPHTYFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2S/c1-9-10(2)12(4)16(13(5)11(9)3)17(18)15-7-14(19-6)8-20-15/h7-8,17-18H,1-6H3.
What are the key properties of (4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
(4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol has a molecular weight of 290.43 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol is sourced from PubChem (CID 81119806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).