2-acenaphthylen-5-ylethanol

C14H12O — CID 154533898

IUPAC2-acenaphthylen-5-ylethanol
SMILESOCCc1ccc2c3c(cccc13)C=C2
InChIInChI=1S/C14H12O/c15-9-8-10-4-5-12-7-6-11-2-1-3-13(10)14(11)12/h1-7,15H,8-9H2
InChIKeySPKVIFGITLJEKR-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.86
Rot. Bonds2

About 2-acenaphthylen-5-ylethanol

2-acenaphthylen-5-ylethanol (PubChem CID 154533898) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-acenaphthylen-5-ylethanol.

Molecular Properties

Compound Name2-acenaphthylen-5-ylethanol
PubChem CID154533898
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name2-acenaphthylen-5-ylethanol
SMILESOCCc1ccc2c3c(cccc13)C=C2
InChIInChI=1S/C14H12O/c15-9-8-10-4-5-12-7-6-11-2-1-3-13(10)14(11)12/h1-7,15H,8-9H2
InChIKeySPKVIFGITLJEKR-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-butylacenaphthylene
CID 173460054
2-[4-(2-hydroxyethyl)naphthalen-1-yl]ethanol
CID 12582392
2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol
CID 87369829
5-acenaphthylen-5-ylacenaphthylene
CID 14931397
2-[1-[2-(2-hydroxyethyl)naphthalen-1-yl]naphthalen-2-yl]ethanol
CID 10405122
ethane;2-naphthalen-1-ylethanol
CID 145119048
acenaphthylene-5-thiol
CID 22590265
ethane;6-[9-(6-hydroxyhexyl)perylen-3-yl]hexan-1-ol
CID 145401307
2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol
CID 101270309
2-chrysen-1-ylethanol
CID 87369772
2-acenaphthylen-5-ylguanidine
CID 67707512
2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol
CID 117276602

Frequently Asked Questions

What is the IUPAC name of 2-acenaphthylen-5-ylethanol?
The IUPAC name of 2-acenaphthylen-5-ylethanol (CID 154533898) is 2-acenaphthylen-5-ylethanol.
What is the SMILES notation for 2-acenaphthylen-5-ylethanol?
The canonical SMILES for 2-acenaphthylen-5-ylethanol is OCCc1ccc2c3c(cccc13)C=C2.
What is the InChIKey of 2-acenaphthylen-5-ylethanol?
The InChIKey is SPKVIFGITLJEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c15-9-8-10-4-5-12-7-6-11-2-1-3-13(10)14(11)12/h1-7,15H,8-9H2.
What are the key properties of 2-acenaphthylen-5-ylethanol?
2-acenaphthylen-5-ylethanol has a molecular weight of 196.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acenaphthylen-5-ylethanol is sourced from PubChem (CID 154533898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).