1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene

C20H29FO — CID 67899019

IUPAC1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene
SMILESCCCCCC1(F)CCC(/C=C\c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H29FO/c1-3-4-5-14-20(21)15-12-18(13-16-20)7-6-17-8-10-19(22-2)11-9-17/h6-11,18H,3-5,12-16H2,1-2H3/b7-6-
InChIKeyFJVWOVLZCPHWRV-SREVYHEPSA-N
MW304.45 g/mol
LogP6.19
Rot. Bonds7

About 1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene

1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene (PubChem CID 67899019) has the molecular formula C20H29FO and a molecular weight of 304.45 g/mol. Its IUPAC name is 1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene
PubChem CID67899019
Molecular FormulaC20H29FO
Molecular Weight304.45 g/mol
Exact Mass304.22
IUPAC Name1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene
SMILESCCCCCC1(F)CCC(/C=C\c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H29FO/c1-3-4-5-14-20(21)15-12-18(13-16-20)7-6-17-8-10-19(22-2)11-9-17/h6-11,18H,3-5,12-16H2,1-2H3/b7-6-
InChIKeyFJVWOVLZCPHWRV-SREVYHEPSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.45
LogP ≤ 56.19
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)-4-[2-(4-heptoxycyclohexyl)ethenyl]benzene
CID 54015791
4-[(E)-2-[9,9-dihexyl-7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]fluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 102326993
1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene
CID 54331171
1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene
CID 54255138
1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834
tert-butyl 4-[(Z)-2-(4-methoxyphenyl)ethenyl]piperidine-1-carboxylate
CID 134385626
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[2-(4-bromo-4-pentylcyclohexyl)ethyl]-4-methoxybenzene
CID 18596669
1-[(Z)-hept-1-enyl]-4-methoxybenzene;1-iodo-4-methylbenzene
CID 159696317
(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine
CID 122220925
1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene
CID 18597168
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]benzene
CID 54259192

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene (CID 67899019) is 1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene is CCCCCC1(F)CCC(/C=C\c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene?
The InChIKey is FJVWOVLZCPHWRV-SREVYHEPSA-N. The full InChI is InChI=1S/C20H29FO/c1-3-4-5-14-20(21)15-12-18(13-16-20)7-6-17-8-10-19(22-2)11-9-17/h6-11,18H,3-5,12-16H2,1-2H3/b7-6-.
What are the key properties of 1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene?
1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene has a molecular weight of 304.45 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene is sourced from PubChem (CID 67899019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).