1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol

C21H25F3O2 — CID 90032710

IUPAC1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
SMILESCCC(O)c1ccc2c(C(F)(F)F)c(OC3CCC(C)CC3)ccc2c1
InChIInChI=1S/C21H25F3O2/c1-3-18(25)15-6-10-17-14(12-15)7-11-19(20(17)21(22,23)24)26-16-8-4-13(2)5-9-16/h6-7,10-13,16,18,25H,3-5,8-9H2,1-2H3
InChIKeyUTSIPBBCENUBJK-UHFFFAOYSA-N
MW366.42 g/mol
LogP6.26
Rot. Bonds4

About 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol

1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol (PubChem CID 90032710) has the molecular formula C21H25F3O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
PubChem CID90032710
Molecular FormulaC21H25F3O2
Molecular Weight366.42 g/mol
Exact Mass366.18
IUPAC Name1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
SMILESCCC(O)c1ccc2c(C(F)(F)F)c(OC3CCC(C)CC3)ccc2c1
InChIInChI=1S/C21H25F3O2/c1-3-18(25)15-6-10-17-14(12-15)7-11-19(20(17)21(22,23)24)26-16-8-4-13(2)5-9-16/h6-7,10-13,16,18,25H,3-5,8-9H2,1-2H3
InChIKeyUTSIPBBCENUBJK-UHFFFAOYSA-N
XLogP6.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The IUPAC name of 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol (CID 90032710) is 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The canonical SMILES for 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol is CCC(O)c1ccc2c(C(F)(F)F)c(OC3CCC(C)CC3)ccc2c1.
What is the InChIKey of 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The InChIKey is UTSIPBBCENUBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3O2/c1-3-18(25)15-6-10-17-14(12-15)7-11-19(20(17)21(22,23)24)26-16-8-4-13(2)5-9-16/h6-7,10-13,16,18,25H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol has a molecular weight of 366.42 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 90032710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).