4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol

C21H20O — CID 142583234

IUPAC4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol
SMILESC=C(O)CCc1ccc(-c2ccc(C)c3ccccc23)cc1
InChIInChI=1S/C21H20O/c1-15-7-14-20(21-6-4-3-5-19(15)21)18-12-10-17(11-13-18)9-8-16(2)22/h3-7,10-14,22H,2,8-9H2,1H3
InChIKeyQYXYDZXZEVJNDZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.82
Rot. Bonds4

About 4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol

4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol (PubChem CID 142583234) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol.

Molecular Properties

Compound Name4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol
PubChem CID142583234
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol
SMILESC=C(O)CCc1ccc(-c2ccc(C)c3ccccc23)cc1
InChIInChI=1S/C21H20O/c1-15-7-14-20(21-6-4-3-5-19(15)21)18-12-10-17(11-13-18)9-8-16(2)22/h3-7,10-14,22H,2,8-9H2,1H3
InChIKeyQYXYDZXZEVJNDZ-UHFFFAOYSA-N
XLogP5.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol?
The IUPAC name of 4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol (CID 142583234) is 4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol.
What is the SMILES notation for 4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol?
The canonical SMILES for 4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol is C=C(O)CCc1ccc(-c2ccc(C)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol?
The InChIKey is QYXYDZXZEVJNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-15-7-14-20(21-6-4-3-5-19(15)21)18-12-10-17(11-13-18)9-8-16(2)22/h3-7,10-14,22H,2,8-9H2,1H3.
What are the key properties of 4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol?
4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol has a molecular weight of 288.39 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylnaphthalen-1-yl)phenyl]but-1-en-2-ol is sourced from PubChem (CID 142583234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).