6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol

C20H17F3O2 — CID 68536661

IUPAC6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol
SMILESCOc1ccc2c(O)c(-c3ccccc3)c(CCC(F)(F)F)cc2c1
InChIInChI=1S/C20H17F3O2/c1-25-16-7-8-17-15(12-16)11-14(9-10-20(21,22)23)18(19(17)24)13-5-3-2-4-6-13/h2-8,11-12,24H,9-10H2,1H3
InChIKeyDNUARDYZVJWFTP-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.72
Rot. Bonds4

About 6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol

6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol (PubChem CID 68536661) has the molecular formula C20H17F3O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol.

Molecular Properties

Compound Name6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol
PubChem CID68536661
Molecular FormulaC20H17F3O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol
SMILESCOc1ccc2c(O)c(-c3ccccc3)c(CCC(F)(F)F)cc2c1
InChIInChI=1S/C20H17F3O2/c1-25-16-7-8-17-15(12-16)11-14(9-10-20(21,22)23)18(19(17)24)13-5-3-2-4-6-13/h2-8,11-12,24H,9-10H2,1H3
InChIKeyDNUARDYZVJWFTP-UHFFFAOYSA-N
XLogP5.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol?
The IUPAC name of 6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol (CID 68536661) is 6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol.
What is the SMILES notation for 6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol?
The canonical SMILES for 6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol is COc1ccc2c(O)c(-c3ccccc3)c(CCC(F)(F)F)cc2c1.
What is the InChIKey of 6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol?
The InChIKey is DNUARDYZVJWFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3O2/c1-25-16-7-8-17-15(12-16)11-14(9-10-20(21,22)23)18(19(17)24)13-5-3-2-4-6-13/h2-8,11-12,24H,9-10H2,1H3.
What are the key properties of 6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol?
6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol has a molecular weight of 346.35 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-ol is sourced from PubChem (CID 68536661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).