1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

C16H17NOS — CID 63928114

IUPAC1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1[nH]c(C(O)c2cc3ccccc3s2)c(C)c1C
InChIInChI=1S/C16H17NOS/c1-9-10(2)15(17-11(9)3)16(18)14-8-12-6-4-5-7-13(12)19-14/h4-8,16-18H,1-3H3
InChIKeyNHHITLMQAUOWLB-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.24
Rot. Bonds2

About 1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (PubChem CID 63928114) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
PubChem CID63928114
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1[nH]c(C(O)c2cc3ccccc3s2)c(C)c1C
InChIInChI=1S/C16H17NOS/c1-9-10(2)15(17-11(9)3)16(18)14-8-12-6-4-5-7-13(12)19-14/h4-8,16-18H,1-3H3
InChIKeyNHHITLMQAUOWLB-UHFFFAOYSA-N
XLogP4.24
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol
CID 115807031
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-[5-[1-benzothiophen-2-yl-[5-[1-benzothiophen-2-yl-(5-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 71679040
1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol
CID 115796747
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836357
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
(2R)-2-(1-benzothiophen-2-yl)propanoate
CID 7230612
ethyl (3S)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoate
CID 42631132
1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol
CID 63427924
1-(1-benzothiophen-2-yl)-3-(dimethylamino)propan-1-ol
CID 86678604
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The IUPAC name of 1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (CID 63928114) is 1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.
What is the SMILES notation for 1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The canonical SMILES for 1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is Cc1[nH]c(C(O)c2cc3ccccc3s2)c(C)c1C.
What is the InChIKey of 1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The InChIKey is NHHITLMQAUOWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-9-10(2)15(17-11(9)3)16(18)14-8-12-6-4-5-7-13(12)19-14/h4-8,16-18H,1-3H3.
What are the key properties of 1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol has a molecular weight of 271.38 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 63928114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).