butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium

C17H20O3Ti — CID 59487979

IUPACbutan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium
SMILESCCCCO.O=C(c1ccccc1)c1ccc(O)cc1.[Ti]
InChIInChI=1S/C13H10O2.C4H10O.Ti/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-2-3-4-5;/h1-9,14H;5H,2-4H2,1H3;
InChIKeyNEEQKFIAYHOQFZ-UHFFFAOYSA-N
MW320.21 g/mol
LogP3.40
Rot. Bonds4

About butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium

butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium (PubChem CID 59487979) has the molecular formula C17H20O3Ti and a molecular weight of 320.21 g/mol. Its IUPAC name is butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium.

Molecular Properties

Compound Namebutan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium
PubChem CID59487979
Molecular FormulaC17H20O3Ti
Molecular Weight320.21 g/mol
Exact Mass320.09
IUPAC Namebutan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium
SMILESCCCCO.O=C(c1ccccc1)c1ccc(O)cc1.[Ti]
InChIInChI=1S/C13H10O2.C4H10O.Ti/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-2-3-4-5;/h1-9,14H;5H,2-4H2,1H3;
InChIKeyNEEQKFIAYHOQFZ-UHFFFAOYSA-N
XLogP3.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium?
The IUPAC name of butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium (CID 59487979) is butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium.
What is the SMILES notation for butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium?
The canonical SMILES for butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium is CCCCO.O=C(c1ccccc1)c1ccc(O)cc1.[Ti].
What is the InChIKey of butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium?
The InChIKey is NEEQKFIAYHOQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2.C4H10O.Ti/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-2-3-4-5;/h1-9,14H;5H,2-4H2,1H3;.
What are the key properties of butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium?
butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium has a molecular weight of 320.21 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium is sourced from PubChem (CID 59487979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).