1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol

C23H17F3O2 — CID 162396936

IUPAC1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(COc1ccc2ccccc2c1)(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C23H17F3O2/c24-23(25,26)22(27,20-11-9-16-5-1-3-7-18(16)13-20)15-28-21-12-10-17-6-2-4-8-19(17)14-21/h1-14,27H,15H2
InChIKeyALTHUGREPCNPKT-UHFFFAOYSA-N
MW382.38 g/mol
LogP5.82
Rot. Bonds4

About 1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol

1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 162396936) has the molecular formula C23H17F3O2 and a molecular weight of 382.38 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol
PubChem CID162396936
Molecular FormulaC23H17F3O2
Molecular Weight382.38 g/mol
Exact Mass382.12
IUPAC Name1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(COc1ccc2ccccc2c1)(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C23H17F3O2/c24-23(25,26)22(27,20-11-9-16-5-1-3-7-18(16)13-20)15-28-21-12-10-17-6-2-4-8-19(17)14-21/h1-14,27H,15H2
InChIKeyALTHUGREPCNPKT-UHFFFAOYSA-N
XLogP5.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.38
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol
CID 74027046
Terphenyl scaffold, 29
CID 10097991
3-(5'-{[3,4-Bis(Hydroxymethyl)benzyl]oxy}-2'-Ethyl-2-Propylbiphenyl-4-Yl)pentan-3-Ol
CID 10174128
4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-tetrahydro-pyran
CID 15637380
3H-Naphtho[2,1-b]pyran, 3,3-diphenyl-
CID 3104870
[1-(3,4-Dimethoxy-phenyl)-3-hydroxymethyl-6,7-dimethoxy-naphthalen-2-yl]-methanol
CID 11794425
2-[4-[3-Ethyl-4-[3-(naphthalen-2-ylmethyl)phenyl]phenyl]-3-propan-2-ylphenoxy]acetic acid
CID 12134735
2-(4-Methoxy-benzyl)-naphthalen-1-ol
CID 15617839
2-(3,4-Dimethoxy-benzyl)-naphthalen-1-ol
CID 15617853
2-(4-Ethoxy-benzyl)-naphthalen-1-ol
CID 15617864
3-(2-((6-(Benzyloxy)naphthalen-2-yl)methyl)phenyl)acrylic acid
CID 21198692

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol (CID 162396936) is 1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol is OC(COc1ccc2ccccc2c1)(c1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is ALTHUGREPCNPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3O2/c24-23(25,26)22(27,20-11-9-16-5-1-3-7-18(16)13-20)15-28-21-12-10-17-6-2-4-8-19(17)14-21/h1-14,27H,15H2.
What are the key properties of 1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol?
1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 382.38 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-naphthalen-2-yl-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 162396936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).