1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene

C26H33FO — CID 139862049

IUPAC1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene
SMILESC/C=C/C1CCC(C2CCC(c3ccc4c(F)c(OC)ccc4c3)CC2)CC1
InChIInChI=1S/C26H33FO/c1-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-15-24-23(17-22)14-16-25(28-2)26(24)27/h3-4,13-21H,5-12H2,1-2H3/b4-3+
InChIKeyDXMJSNSNVHOEQR-ONEGZZNKSA-N
MW380.55 g/mol
LogP7.64
Rot. Bonds4

About 1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene

1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene (PubChem CID 139862049) has the molecular formula C26H33FO and a molecular weight of 380.55 g/mol. Its IUPAC name is 1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene
PubChem CID139862049
Molecular FormulaC26H33FO
Molecular Weight380.55 g/mol
Exact Mass380.25
IUPAC Name1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene
SMILESC/C=C/C1CCC(C2CCC(c3ccc4c(F)c(OC)ccc4c3)CC2)CC1
InChIInChI=1S/C26H33FO/c1-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-15-24-23(17-22)14-16-25(28-2)26(24)27/h3-4,13-21H,5-12H2,1-2H3/b4-3+
InChIKeyDXMJSNSNVHOEQR-ONEGZZNKSA-N
XLogP7.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.55
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-3-methoxy-7-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
CID 139863353
3-ethoxy-1,2-difluoro-7-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene
CID 139863075
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 69087569
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane
CID 158097848
1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 123745381
2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139862289
1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860513
5-[1,1-difluoro-2-[2-fluoro-4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]phenoxy]ethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 123410431
1,2-difluoro-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]benzene
CID 54158717
6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene
CID 139862840
2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 58021302
1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen
CID 160964555

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene?
The IUPAC name of 1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene (CID 139862049) is 1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene.
What is the SMILES notation for 1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene?
The canonical SMILES for 1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene is C/C=C/C1CCC(C2CCC(c3ccc4c(F)c(OC)ccc4c3)CC2)CC1.
What is the InChIKey of 1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene?
The InChIKey is DXMJSNSNVHOEQR-ONEGZZNKSA-N. The full InChI is InChI=1S/C26H33FO/c1-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-15-24-23(17-22)14-16-25(28-2)26(24)27/h3-4,13-21H,5-12H2,1-2H3/b4-3+.
What are the key properties of 1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene?
1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene has a molecular weight of 380.55 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene is sourced from PubChem (CID 139862049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).