4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol

C18H12ClF3O2 — CID 15129422

IUPAC4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
SMILESCOc1c(-c2ccc(C(F)(F)F)cc2)c(O)c2ccccc2c1Cl
InChIInChI=1S/C18H12ClF3O2/c1-24-17-14(10-6-8-11(9-7-10)18(20,21)22)16(23)13-5-3-2-4-12(13)15(17)19/h2-9,23H,1H3
InChIKeyMPZCYJFGCJJWAL-UHFFFAOYSA-N
MW352.74 g/mol
LogP5.89
Rot. Bonds2

About 4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol

4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol (PubChem CID 15129422) has the molecular formula C18H12ClF3O2 and a molecular weight of 352.74 g/mol. Its IUPAC name is 4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
PubChem CID15129422
Molecular FormulaC18H12ClF3O2
Molecular Weight352.74 g/mol
Exact Mass352.05
IUPAC Name4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
SMILESCOc1c(-c2ccc(C(F)(F)F)cc2)c(O)c2ccccc2c1Cl
InChIInChI=1S/C18H12ClF3O2/c1-24-17-14(10-6-8-11(9-7-10)18(20,21)22)16(23)13-5-3-2-4-12(13)15(17)19/h2-9,23H,1H3
InChIKeyMPZCYJFGCJJWAL-UHFFFAOYSA-N
XLogP5.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.74
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol?
The IUPAC name of 4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol (CID 15129422) is 4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol.
What is the SMILES notation for 4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol?
The canonical SMILES for 4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol is COc1c(-c2ccc(C(F)(F)F)cc2)c(O)c2ccccc2c1Cl.
What is the InChIKey of 4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol?
The InChIKey is MPZCYJFGCJJWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3O2/c1-24-17-14(10-6-8-11(9-7-10)18(20,21)22)16(23)13-5-3-2-4-12(13)15(17)19/h2-9,23H,1H3.
What are the key properties of 4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol?
4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol has a molecular weight of 352.74 g/mol, XLogP of 5.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol is sourced from PubChem (CID 15129422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).