3H-phenalen-1-ylmethanol

C14H12O — CID 174363850

IUPAC3H-phenalen-1-ylmethanol
SMILESOCC1=CCc2cccc3cccc1c23
InChIInChI=1S/C14H12O/c15-9-12-8-7-11-4-1-3-10-5-2-6-13(12)14(10)11/h1-6,8,15H,7,9H2
InChIKeyHXBWQNPVOMFPLJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.77
Rot. Bonds1

About 3H-phenalen-1-ylmethanol

3H-phenalen-1-ylmethanol (PubChem CID 174363850) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3H-phenalen-1-ylmethanol.

Molecular Properties

Compound Name3H-phenalen-1-ylmethanol
PubChem CID174363850
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name3H-phenalen-1-ylmethanol
SMILESOCC1=CCc2cccc3cccc1c23
InChIInChI=1S/C14H12O/c15-9-12-8-7-11-4-1-3-10-5-2-6-13(12)14(10)11/h1-6,8,15H,7,9H2
InChIKeyHXBWQNPVOMFPLJ-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3H-phenalen-1-yl)acetic acid
CID 140967462
3-butyl-1H-phenalene
CID 174644054
3H-phenalen-1-ol
CID 69253021
acetic acid;3H-inden-1-ylmethanol
CID 71363289
CID 175026640
CID 175026640
[8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol
CID 12507693
1,2-dihydroacenaphthylene
CID 161018660
1-(3H-inden-1-yl)-N,N-dimethylmethanamine
CID 20658444
3-(chloromethyl)-1H-indene
CID 55301076
1-(3H-phenalen-1-yl)-1H-phenalene
CID 174604629
1,2-dihydroacenaphthylene;9H-fluorene;propane
CID 158482516
[9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol
CID 44597704

Frequently Asked Questions

What is the IUPAC name of 3H-phenalen-1-ylmethanol?
The IUPAC name of 3H-phenalen-1-ylmethanol (CID 174363850) is 3H-phenalen-1-ylmethanol.
What is the SMILES notation for 3H-phenalen-1-ylmethanol?
The canonical SMILES for 3H-phenalen-1-ylmethanol is OCC1=CCc2cccc3cccc1c23.
What is the InChIKey of 3H-phenalen-1-ylmethanol?
The InChIKey is HXBWQNPVOMFPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c15-9-12-8-7-11-4-1-3-10-5-2-6-13(12)14(10)11/h1-6,8,15H,7,9H2.
What are the key properties of 3H-phenalen-1-ylmethanol?
3H-phenalen-1-ylmethanol has a molecular weight of 196.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-phenalen-1-ylmethanol is sourced from PubChem (CID 174363850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).