1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium

C18H18OV — CID 159840494

IUPAC1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium
SMILESC#CC(O)Cc1ccc(Cc2ccc(C)cc2)cc1.[V]
InChIInChI=1S/C18H18O.V/c1-3-18(19)13-17-10-8-16(9-11-17)12-15-6-4-14(2)5-7-15;/h1,4-11,18-19H,12-13H2,2H3;
InChIKeyNOPQOWSXMGLDMR-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.12
Rot. Bonds4

About 1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium

1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium (PubChem CID 159840494) has the molecular formula C18H18OV and a molecular weight of 301.29 g/mol. Its IUPAC name is 1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium.

Molecular Properties

Compound Name1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium
PubChem CID159840494
Molecular FormulaC18H18OV
Molecular Weight301.29 g/mol
Exact Mass301.08
IUPAC Name1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium
SMILESC#CC(O)Cc1ccc(Cc2ccc(C)cc2)cc1.[V]
InChIInChI=1S/C18H18O.V/c1-3-18(19)13-17-10-8-16(9-11-17)12-15-6-4-14(2)5-7-15;/h1,4-11,18-19H,12-13H2,2H3;
InChIKeyNOPQOWSXMGLDMR-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(2-hydroxybut-3-ynyl)phenyl]phenyl] 4-methylbenzoate
CID 20663270
1-(4-phenoxyphenyl)but-3-yn-2-ol
CID 23170409
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
1-[4-(2-methylquinoxalin-6-yl)phenyl]but-3-yn-2-ol
CID 20663108
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
3-hydroxy-4-(4-methylphenyl)butanenitrile
CID 82074874
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane
CID 91507263
[4-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]phenyl]methanol
CID 121329886
4-methyl-3-[(4-methylphenyl)methyl]pent-1-en-2-amine
CID 167120568

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium?
The IUPAC name of 1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium (CID 159840494) is 1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium.
What is the SMILES notation for 1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium?
The canonical SMILES for 1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium is C#CC(O)Cc1ccc(Cc2ccc(C)cc2)cc1.[V].
What is the InChIKey of 1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium?
The InChIKey is NOPQOWSXMGLDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O.V/c1-3-18(19)13-17-10-8-16(9-11-17)12-15-6-4-14(2)5-7-15;/h1,4-11,18-19H,12-13H2,2H3;.
What are the key properties of 1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium?
1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium has a molecular weight of 301.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylphenyl)methyl]phenyl]but-3-yn-2-ol;vanadium is sourced from PubChem (CID 159840494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).