1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene

C23H18F6O — CID 171832360

IUPAC1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene
SMILESC=CCc1cc(C(F)(F)F)c(Cc2ccc(OC)c3ccccc23)c(C(F)(F)F)c1
InChIInChI=1S/C23H18F6O/c1-3-6-14-11-19(22(24,25)26)18(20(12-14)23(27,28)29)13-15-9-10-21(30-2)17-8-5-4-7-16(15)17/h3-5,7-12H,1,6,13H2,2H3
InChIKeyOGFKDFZHMXOGCT-UHFFFAOYSA-N
MW424.38 g/mol
LogP7.21
Rot. Bonds5

About 1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene

1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene (PubChem CID 171832360) has the molecular formula C23H18F6O and a molecular weight of 424.38 g/mol. Its IUPAC name is 1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene.

Molecular Properties

Compound Name1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene
PubChem CID171832360
Molecular FormulaC23H18F6O
Molecular Weight424.38 g/mol
Exact Mass424.13
IUPAC Name1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene
SMILESC=CCc1cc(C(F)(F)F)c(Cc2ccc(OC)c3ccccc23)c(C(F)(F)F)c1
InChIInChI=1S/C23H18F6O/c1-3-6-14-11-19(22(24,25)26)18(20(12-14)23(27,28)29)13-15-9-10-21(30-2)17-8-5-4-7-16(15)17/h3-5,7-12H,1,6,13H2,2H3
InChIKeyOGFKDFZHMXOGCT-UHFFFAOYSA-N
XLogP7.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.38
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene
CID 13487722
2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene
CID 15852632
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene
CID 23247258
1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
CID 122178034
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
1-[2-(2-fluorophenyl)ethyl]-4-methoxynaphthalene
CID 175737781
1-(4-methoxynaphthalen-1-yl)propan-2-one
CID 70461266
3-methoxy-1-prop-2-enylnaphthalen-2-ol
CID 130034062
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 18084109

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene?
The IUPAC name of 1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene (CID 171832360) is 1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene.
What is the SMILES notation for 1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene?
The canonical SMILES for 1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene is C=CCc1cc(C(F)(F)F)c(Cc2ccc(OC)c3ccccc23)c(C(F)(F)F)c1.
What is the InChIKey of 1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene?
The InChIKey is OGFKDFZHMXOGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6O/c1-3-6-14-11-19(22(24,25)26)18(20(12-14)23(27,28)29)13-15-9-10-21(30-2)17-8-5-4-7-16(15)17/h3-5,7-12H,1,6,13H2,2H3.
What are the key properties of 1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene?
1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene has a molecular weight of 424.38 g/mol, XLogP of 7.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[4-prop-2-enyl-2,6-bis(trifluoromethyl)phenyl]methyl]naphthalene is sourced from PubChem (CID 171832360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).