1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene

C25H32F2O — CID 139864018

IUPAC1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene
SMILESC/C=C/c1ccc2cc(C3CCC(CCCCC)CC3)ccc2c1OC(F)F
InChIInChI=1S/C25H32F2O/c1-3-5-6-8-18-9-11-19(12-10-18)21-15-16-23-22(17-21)14-13-20(7-4-2)24(23)28-25(26)27/h4,7,13-19,25H,3,5-6,8-12H2,1-2H3/b7-4+
InChIKeyRSHIDPOAHLTNKR-QPJJXVBHSA-N
MW386.53 g/mol
LogP8.33
Rot. Bonds8

About 1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene

1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene (PubChem CID 139864018) has the molecular formula C25H32F2O and a molecular weight of 386.53 g/mol. Its IUPAC name is 1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene.

Molecular Properties

Compound Name1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene
PubChem CID139864018
Molecular FormulaC25H32F2O
Molecular Weight386.53 g/mol
Exact Mass386.24
IUPAC Name1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene
SMILESC/C=C/c1ccc2cc(C3CCC(CCCCC)CC3)ccc2c1OC(F)F
InChIInChI=1S/C25H32F2O/c1-3-5-6-8-18-9-11-19(12-10-18)21-15-16-23-22(17-21)14-13-20(7-4-2)24(23)28-25(26)27/h4,7,13-19,25H,3,5-6,8-12H2,1-2H3/b7-4+
InChIKeyRSHIDPOAHLTNKR-QPJJXVBHSA-N
XLogP8.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene
CID 139861191
1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene
CID 139862287
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-pentylcyclohexyl)naphthalene
CID 139870936
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethynyl]-1-fluoro-6-(4-hexylcyclohexyl)naphthalene
CID 139851594
2-(difluoromethoxy)-6-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22383380
6-[(6R,8aR)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1-fluoronaphthalene
CID 20808319
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene
CID 139856218
1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
CID 139850039
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
CID 139861263
1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
CID 14765980

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene?
The IUPAC name of 1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene (CID 139864018) is 1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene.
What is the SMILES notation for 1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene?
The canonical SMILES for 1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene is C/C=C/c1ccc2cc(C3CCC(CCCCC)CC3)ccc2c1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene?
The InChIKey is RSHIDPOAHLTNKR-QPJJXVBHSA-N. The full InChI is InChI=1S/C25H32F2O/c1-3-5-6-8-18-9-11-19(12-10-18)21-15-16-23-22(17-21)14-13-20(7-4-2)24(23)28-25(26)27/h4,7,13-19,25H,3,5-6,8-12H2,1-2H3/b7-4+.
What are the key properties of 1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene?
1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene has a molecular weight of 386.53 g/mol, XLogP of 8.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene is sourced from PubChem (CID 139864018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).