1-but-3-en-2-ylnaphthalen-2-ol

C14H14O — CID 15324471

IUPAC1-but-3-en-2-ylnaphthalen-2-ol
SMILESC=CC(C)c1c(O)ccc2ccccc12
InChIInChI=1S/C14H14O/c1-3-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15/h3-10,15H,1H2,2H3
InChIKeyLKLRSNHPWGBUNV-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.83
Rot. Bonds2

About 1-but-3-en-2-ylnaphthalen-2-ol

1-but-3-en-2-ylnaphthalen-2-ol (PubChem CID 15324471) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-but-3-en-2-ylnaphthalen-2-ol.

Molecular Properties

Compound Name1-but-3-en-2-ylnaphthalen-2-ol
PubChem CID15324471
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-but-3-en-2-ylnaphthalen-2-ol
SMILESC=CC(C)c1c(O)ccc2ccccc12
InChIInChI=1S/C14H14O/c1-3-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15/h3-10,15H,1H2,2H3
InChIKeyLKLRSNHPWGBUNV-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
1-[(1R)-1-amino-2-methylpropyl]naphthalen-2-ol
CID 39345560
1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171232050
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171264640
1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride
CID 171232039
1-[1-(4-methoxyphenyl)ethyl]naphthalen-2-ol
CID 101441341
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171294389
chromium;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;prop-1-ene
CID 10785807

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-ylnaphthalen-2-ol?
The IUPAC name of 1-but-3-en-2-ylnaphthalen-2-ol (CID 15324471) is 1-but-3-en-2-ylnaphthalen-2-ol.
What is the SMILES notation for 1-but-3-en-2-ylnaphthalen-2-ol?
The canonical SMILES for 1-but-3-en-2-ylnaphthalen-2-ol is C=CC(C)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-but-3-en-2-ylnaphthalen-2-ol?
The InChIKey is LKLRSNHPWGBUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-3-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15/h3-10,15H,1H2,2H3.
What are the key properties of 1-but-3-en-2-ylnaphthalen-2-ol?
1-but-3-en-2-ylnaphthalen-2-ol has a molecular weight of 198.26 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-ylnaphthalen-2-ol is sourced from PubChem (CID 15324471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).