acetic acid;1-naphthalen-2-ylprop-2-en-1-ol

C15H16O3 — CID 70153213

IUPACacetic acid;1-naphthalen-2-ylprop-2-en-1-ol
SMILESC=CC(O)c1ccc2ccccc2c1.CC(=O)O
InChIInChI=1S/C13H12O.C2H4O2/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12;1-2(3)4/h2-9,13-14H,1H2;1H3,(H,3,4)
InChIKeyYRHGIKGYDUTUAQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.15
Rot. Bonds2

About acetic acid;1-naphthalen-2-ylprop-2-en-1-ol

acetic acid;1-naphthalen-2-ylprop-2-en-1-ol (PubChem CID 70153213) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is acetic acid;1-naphthalen-2-ylprop-2-en-1-ol.

Molecular Properties

Compound Nameacetic acid;1-naphthalen-2-ylprop-2-en-1-ol
PubChem CID70153213
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Nameacetic acid;1-naphthalen-2-ylprop-2-en-1-ol
SMILESC=CC(O)c1ccc2ccccc2c1.CC(=O)O
InChIInChI=1S/C13H12O.C2H4O2/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12;1-2(3)4/h2-9,13-14H,1H2;1H3,(H,3,4)
InChIKeyYRHGIKGYDUTUAQ-UHFFFAOYSA-N
XLogP3.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-2-ylprop-2-en-1-ol
CID 10921194
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
1-(4-methyl-3-phenylphenyl)prop-2-en-1-ol
CID 139935351
[bromo(naphthalen-2-yl)methyl] prop-2-enoate
CID 134562341
naphthalen-2-ylmethanediol
CID 22496827
2-[(1S)-1-methylsulfanylprop-2-enyl]naphthalene
CID 146165701
1-hydroxy-3-methyl-1-naphthalen-2-ylbutan-2-one
CID 23568525
3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 12012921
(2R,3R)-2-chloro-3-naphthalen-2-ylpent-4-enal
CID 146167139
(2R)-2-hydroxy-2-naphthalen-2-ylacetamide
CID 11356121
(1R)-2-[[(2S)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124593831
(1S)-2-[[(2R)-but-3-en-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124593834

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-naphthalen-2-ylprop-2-en-1-ol?
The IUPAC name of acetic acid;1-naphthalen-2-ylprop-2-en-1-ol (CID 70153213) is acetic acid;1-naphthalen-2-ylprop-2-en-1-ol.
What is the SMILES notation for acetic acid;1-naphthalen-2-ylprop-2-en-1-ol?
The canonical SMILES for acetic acid;1-naphthalen-2-ylprop-2-en-1-ol is C=CC(O)c1ccc2ccccc2c1.CC(=O)O.
What is the InChIKey of acetic acid;1-naphthalen-2-ylprop-2-en-1-ol?
The InChIKey is YRHGIKGYDUTUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.C2H4O2/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12;1-2(3)4/h2-9,13-14H,1H2;1H3,(H,3,4).
What are the key properties of acetic acid;1-naphthalen-2-ylprop-2-en-1-ol?
acetic acid;1-naphthalen-2-ylprop-2-en-1-ol has a molecular weight of 244.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-naphthalen-2-ylprop-2-en-1-ol is sourced from PubChem (CID 70153213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).