1-[(E)-but-2-enyl]naphthalen-2-ol

C14H14O — CID 11564655

IUPAC1-[(E)-but-2-enyl]naphthalen-2-ol
SMILESC/C=C/Cc1c(O)ccc2ccccc12
InChIInChI=1S/C14H14O/c1-2-3-7-13-12-8-5-4-6-11(12)9-10-14(13)15/h2-6,8-10,15H,7H2,1H3/b3-2+
InChIKeyBKEYKYCDOWUCRB-NSCUHMNNSA-N
MW198.26 g/mol
LogP3.66
Rot. Bonds2

About 1-[(E)-but-2-enyl]naphthalen-2-ol

1-[(E)-but-2-enyl]naphthalen-2-ol (PubChem CID 11564655) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]naphthalen-2-ol
PubChem CID11564655
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-[(E)-but-2-enyl]naphthalen-2-ol
SMILESC/C=C/Cc1c(O)ccc2ccccc12
InChIInChI=1S/C14H14O/c1-2-3-7-13-12-8-5-4-6-11(12)9-10-14(13)15/h2-6,8-10,15H,7H2,1H3/b3-2+
InChIKeyBKEYKYCDOWUCRB-NSCUHMNNSA-N
XLogP3.66
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 ≤ 53.66
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-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol
CID 102214824
1-(2-hydroxyethyl)naphthalen-2-ol
CID 19602212
1-[dideuterio(diethylamino)methyl]naphthalen-2-ol
CID 11401998
1-(2-amino-4-methylpentyl)naphthalen-2-ol
CID 55112516
1-(2-aminooxyethyl)naphthalen-2-ol
CID 117291431
1-prop-2-enylanthracen-2-ol
CID 175294805
4-(2-hydroxynaphthalen-1-yl)-2-oxobutanoic acid
CID 82185756
1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
CID 15213459
3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one
CID 56688148
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol
CID 63933523
benzoic acid;1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 69303961

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-but-2-enyl]naphthalen-2-ol (CID 11564655) is 1-[(E)-but-2-enyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-but-2-enyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-but-2-enyl]naphthalen-2-ol is C/C=C/Cc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(E)-but-2-enyl]naphthalen-2-ol?
The InChIKey is BKEYKYCDOWUCRB-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H14O/c1-2-3-7-13-12-8-5-4-6-11(12)9-10-14(13)15/h2-6,8-10,15H,7H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]naphthalen-2-ol?
1-[(E)-but-2-enyl]naphthalen-2-ol has a molecular weight of 198.26 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]naphthalen-2-ol is sourced from PubChem (CID 11564655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).