1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile

C20H25NO3 — CID 15293880

IUPAC1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile
SMILESCOC1=CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1
InChIInChI=1S/C20H25NO3/c1-22-16-9-11-20(14-21,12-10-16)15-7-8-18(23-2)19(13-15)24-17-5-3-4-6-17/h7-9,13,17H,3-6,10-12H2,1-2H3
InChIKeyYTLQIQUSIGABIT-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.49
Rot. Bonds5

About 1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile

1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile (PubChem CID 15293880) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile
PubChem CID15293880
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile
SMILESCOC1=CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1
InChIInChI=1S/C20H25NO3/c1-22-16-9-11-20(14-21,12-10-16)15-7-8-18(23-2)19(13-15)24-17-5-3-4-6-17/h7-9,13,17H,3-6,10-12H2,1-2H3
InChIKeyYTLQIQUSIGABIT-UHFFFAOYSA-N
XLogP4.49
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile
CID 154535456
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-4-oxocyclohexane-1-carbonitrile;N,N-dimethylmethanamine
CID 142862995
3-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylcyclohexane-1-carbonitrile
CID 57113965
4-(2-cyanoethyl)-1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 173301626
methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylcyclohexene-1-carboxylate
CID 152635732
5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-indazole-5-carbonitrile
CID 10450601
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carbonitrile;pentanenitrile
CID 69463967
N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide
CID 18663795
cis-(3S,4R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3,4-bis(2-oxoethyl)cyclopentane-1-carbonitrile
CID 11210884
1-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]-1-hydroxyurea
CID 19973121
(2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 10156136
methyl 1-amino-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate
CID 56978038

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile?
The IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile (CID 15293880) is 1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for 1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile?
The canonical SMILES for 1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile is COC1=CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1.
What is the InChIKey of 1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile?
The InChIKey is YTLQIQUSIGABIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-22-16-9-11-20(14-21,12-10-16)15-7-8-18(23-2)19(13-15)24-17-5-3-4-6-17/h7-9,13,17H,3-6,10-12H2,1-2H3.
What are the key properties of 1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile?
1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile has a molecular weight of 327.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 15293880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).