3H-phenalen-1-ol

C13H10O — CID 69253021

IUPAC3H-phenalen-1-ol
SMILESOC1=CCc2cccc3cccc1c23
InChIInChI=1S/C13H10O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-6,8,14H,7H2
InChIKeyCOOFKGGFAMDKAE-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.29
Rot. Bonds

About 3H-phenalen-1-ol

3H-phenalen-1-ol (PubChem CID 69253021) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 3H-phenalen-1-ol.

Molecular Properties

Compound Name3H-phenalen-1-ol
PubChem CID69253021
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name3H-phenalen-1-ol
SMILESOC1=CCc2cccc3cccc1c23
InChIInChI=1S/C13H10O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-6,8,14H,7H2
InChIKeyCOOFKGGFAMDKAE-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3H-phenalen-1-ylmethanol
CID 174363850
CID 175026640
CID 175026640
2-(3H-phenalen-1-yl)acetic acid
CID 140967462
3-butyl-1H-phenalene
CID 174644054
3H-inden-1-ol;tris(propan-2-ol);titanium
CID 10338320
1-(3H-phenalen-1-yl)-1H-phenalene
CID 174604629
9H-benzo[7]annulene-5,7-diol
CID 143638866
5H-cyclopenta[b]pyridin-7-ol
CID 141271537
2-deuterioacenaphthylen-1-ol
CID 101109790
5-chloro-3-fluoro-1H-phenalene
CID 174398927
1,2-dihydroacenaphthylene
CID 161018660
heptacyclo[15.5.3.05,22.08,21.010,19.013,18.020,24]pentacosa-1,3,5(22),6,8,10,13,15,17(25),18,20,23-dodecaene
CID 101025018

Frequently Asked Questions

What is the IUPAC name of 3H-phenalen-1-ol?
The IUPAC name of 3H-phenalen-1-ol (CID 69253021) is 3H-phenalen-1-ol.
What is the SMILES notation for 3H-phenalen-1-ol?
The canonical SMILES for 3H-phenalen-1-ol is OC1=CCc2cccc3cccc1c23.
What is the InChIKey of 3H-phenalen-1-ol?
The InChIKey is COOFKGGFAMDKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-6,8,14H,7H2.
What are the key properties of 3H-phenalen-1-ol?
3H-phenalen-1-ol has a molecular weight of 182.22 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-phenalen-1-ol is sourced from PubChem (CID 69253021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).