[2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol

C22H16OS — CID 15091370

IUPAC[2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol
SMILESOCc1ccccc1Cc1cc2c(s1)-c1cccc3cccc-2c13
InChIInChI=1S/C22H16OS/c23-13-16-6-2-1-5-15(16)11-17-12-20-18-9-3-7-14-8-4-10-19(21(14)18)22(20)24-17/h1-10,12,23H,11,13H2
InChIKeyRCDVCDBHMGMTMX-UHFFFAOYSA-N
MW328.44 g/mol
LogP5.63
Rot. Bonds3

About [2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol

[2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol (PubChem CID 15091370) has the molecular formula C22H16OS and a molecular weight of 328.44 g/mol. Its IUPAC name is [2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol
PubChem CID15091370
Molecular FormulaC22H16OS
Molecular Weight328.44 g/mol
Exact Mass328.09
IUPAC Name[2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol
SMILESOCc1ccccc1Cc1cc2c(s1)-c1cccc3cccc-2c13
InChIInChI=1S/C22H16OS/c23-13-16-6-2-1-5-15(16)11-17-12-20-18-9-3-7-14-8-4-10-19(21(14)18)22(20)24-17/h1-10,12,23H,11,13H2
InChIKeyRCDVCDBHMGMTMX-UHFFFAOYSA-N
XLogP5.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44597704
fluoranthene
CID 139203734
[2-(hydroxymethyl)phenyl]methanol;methane
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ethane;fluoranthene;triphenylene
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benzo[k]fluoranthene;ethane
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(2-phenyl-1-benzothiophen-7-yl)methanol
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(8-aminonaphthalen-1-yl)methanol
CID 118807853
(8-ethylnaphthalen-1-yl)methanol
CID 59514335
[2-[[2-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methanol
CID 10317524
benzo[a]anthracen-8-ylmethanol
CID 25090609
2-[(2-phenylphenyl)methyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
CID 159920560

Frequently Asked Questions

What is the IUPAC name of [2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol?
The IUPAC name of [2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol (CID 15091370) is [2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol.
What is the SMILES notation for [2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol?
The canonical SMILES for [2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol is OCc1ccccc1Cc1cc2c(s1)-c1cccc3cccc-2c13.
What is the InChIKey of [2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol?
The InChIKey is RCDVCDBHMGMTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16OS/c23-13-16-6-2-1-5-15(16)11-17-12-20-18-9-3-7-14-8-4-10-19(21(14)18)22(20)24-17/h1-10,12,23H,11,13H2.
What are the key properties of [2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol?
[2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol has a molecular weight of 328.44 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol is sourced from PubChem (CID 15091370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).