[9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol

C16H12O2S — CID 44597704

IUPAC[9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol
SMILESOCc1sc(CO)c2c1-c1cccc3cccc-2c13
InChIInChI=1S/C16H12O2S/c17-7-12-15-10-5-1-3-9-4-2-6-11(14(9)10)16(15)13(8-18)19-12/h1-6,17-18H,7-8H2
InChIKeyHFWYRXALIGFBDC-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.53
Rot. Bonds2

About [9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol

[9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol (PubChem CID 44597704) has the molecular formula C16H12O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is [9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol.

Molecular Properties

Compound Name[9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol
PubChem CID44597704
Molecular FormulaC16H12O2S
Molecular Weight268.34 g/mol
Exact Mass268.06
IUPAC Name[9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol
SMILESOCc1sc(CO)c2c1-c1cccc3cccc-2c13
InChIInChI=1S/C16H12O2S/c17-7-12-15-10-5-1-3-9-4-2-6-11(14(9)10)16(15)13(8-18)19-12/h1-6,17-18H,7-8H2
InChIKeyHFWYRXALIGFBDC-UHFFFAOYSA-N
XLogP3.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol
CID 13177160
[8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol
CID 12507693
fluoranthene
CID 139203734
2-[[9-(2,2-dicyanoethenyl)acenaphthyleno[1,2-c]thiophen-7-yl]methylidene]propanedinitrile
CID 44597819
[2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol
CID 15091370
11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 42638865
4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
CID 173150668
2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol
CID 135879769
9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
CID 123676833
trimethyl-(10-trimethylsilylfluoranthen-7-yl)silane
CID 10970070
11,14-dithiatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),12-heptaene
CID 11042862
benzo[e]azulen-10-ol
CID 140974597

Frequently Asked Questions

What is the IUPAC name of [9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol?
The IUPAC name of [9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol (CID 44597704) is [9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol.
What is the SMILES notation for [9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol?
The canonical SMILES for [9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol is OCc1sc(CO)c2c1-c1cccc3cccc-2c13.
What is the InChIKey of [9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol?
The InChIKey is HFWYRXALIGFBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S/c17-7-12-15-10-5-1-3-9-4-2-6-11(14(9)10)16(15)13(8-18)19-12/h1-6,17-18H,7-8H2.
What are the key properties of [9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol?
[9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol has a molecular weight of 268.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol is sourced from PubChem (CID 44597704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).