2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene

C23H26F2O — CID 91568762

IUPAC2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene
SMILESC=C(C)Oc1ccc(-c2ccc(CC3CCC(C)CC3)cc2)c(F)c1F
InChIInChI=1S/C23H26F2O/c1-15(2)26-21-13-12-20(22(24)23(21)25)19-10-8-18(9-11-19)14-17-6-4-16(3)5-7-17/h8-13,16-17H,1,4-7,14H2,2-3H3
InChIKeyULWCQFQRZCFGMI-UHFFFAOYSA-N
MW356.46 g/mol
LogP6.91
Rot. Bonds5

About 2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene

2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene (PubChem CID 91568762) has the molecular formula C23H26F2O and a molecular weight of 356.46 g/mol. Its IUPAC name is 2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene
PubChem CID91568762
Molecular FormulaC23H26F2O
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene
SMILESC=C(C)Oc1ccc(-c2ccc(CC3CCC(C)CC3)cc2)c(F)c1F
InChIInChI=1S/C23H26F2O/c1-15(2)26-21-13-12-20(22(24)23(21)25)19-10-8-18(9-11-19)14-17-6-4-16(3)5-7-17/h8-13,16-17H,1,4-7,14H2,2-3H3
InChIKeyULWCQFQRZCFGMI-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-decoxy-2,3-difluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 118374115
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 121354195
fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene
CID 90971028
1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene
CID 77417109
1-ethoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 134391078
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 143909052
1-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 102290250
2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 20742506
N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine
CID 143553842
2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 145449238
1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 139749327

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene?
The IUPAC name of 2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene (CID 91568762) is 2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene.
What is the SMILES notation for 2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene?
The canonical SMILES for 2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene is C=C(C)Oc1ccc(-c2ccc(CC3CCC(C)CC3)cc2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene?
The InChIKey is ULWCQFQRZCFGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2O/c1-15(2)26-21-13-12-20(22(24)23(21)25)19-10-8-18(9-11-19)14-17-6-4-16(3)5-7-17/h8-13,16-17H,1,4-7,14H2,2-3H3.
What are the key properties of 2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene?
2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene has a molecular weight of 356.46 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[4-[(4-methylcyclohexyl)methyl]phenyl]-4-prop-1-en-2-yloxybenzene is sourced from PubChem (CID 91568762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).