3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium

C20H12Cl2O2Ti — CID 88689430

IUPAC3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium
SMILESOc1ccc2ccccc2c1-c1c(O)c(Cl)c(Cl)c2ccccc12.[Ti]
InChIInChI=1S/C20H12Cl2O2.Ti/c21-18-14-8-4-3-7-13(14)17(20(24)19(18)22)16-12-6-2-1-5-11(12)9-10-15(16)23;/h1-10,23-24H;
InChIKeyNIPHFOJKTPZHMP-UHFFFAOYSA-N
MW403.09 g/mol
LogP6.38
Rot. Bonds1

About 3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium

3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium (PubChem CID 88689430) has the molecular formula C20H12Cl2O2Ti and a molecular weight of 403.09 g/mol. Its IUPAC name is 3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium.

Molecular Properties

Compound Name3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium
PubChem CID88689430
Molecular FormulaC20H12Cl2O2Ti
Molecular Weight403.09 g/mol
Exact Mass401.97
IUPAC Name3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium
SMILESOc1ccc2ccccc2c1-c1c(O)c(Cl)c(Cl)c2ccccc12.[Ti]
InChIInChI=1S/C20H12Cl2O2.Ti/c21-18-14-8-4-3-7-13(14)17(20(24)19(18)22)16-12-6-2-1-5-11(12)9-10-15(16)23;/h1-10,23-24H;
InChIKeyNIPHFOJKTPZHMP-UHFFFAOYSA-N
XLogP6.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.09
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327
cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
3-[3-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]propyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101021854
chromium;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;prop-1-ene
CID 10785807
3-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methoxymethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 10985666
ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
CID 160574931
3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 135524809

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium?
The IUPAC name of 3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium (CID 88689430) is 3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium.
What is the SMILES notation for 3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium?
The canonical SMILES for 3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium is Oc1ccc2ccccc2c1-c1c(O)c(Cl)c(Cl)c2ccccc12.[Ti].
What is the InChIKey of 3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium?
The InChIKey is NIPHFOJKTPZHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2O2.Ti/c21-18-14-8-4-3-7-13(14)17(20(24)19(18)22)16-12-6-2-1-5-11(12)9-10-15(16)23;/h1-10,23-24H;.
What are the key properties of 3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium?
3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium has a molecular weight of 403.09 g/mol, XLogP of 6.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium is sourced from PubChem (CID 88689430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).