1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene

C26H34O2 — CID 24881576

IUPAC1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene
SMILESCC(C)=CC(CCc1ccccc1OCc1ccccc1)OC1CCCCC1
InChIInChI=1S/C26H34O2/c1-21(2)19-25(28-24-14-7-4-8-15-24)18-17-23-13-9-10-16-26(23)27-20-22-11-5-3-6-12-22/h3,5-6,9-13,16,19,24-25H,4,7-8,14-15,17-18,20H2,1-2H3
InChIKeyOPCAHUGJTXGDJU-UHFFFAOYSA-N
MW378.56 g/mol
LogP6.88
Rot. Bonds9

About 1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene

1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene (PubChem CID 24881576) has the molecular formula C26H34O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene
PubChem CID24881576
Molecular FormulaC26H34O2
Molecular Weight378.56 g/mol
Exact Mass378.26
IUPAC Name1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene
SMILESCC(C)=CC(CCc1ccccc1OCc1ccccc1)OC1CCCCC1
InChIInChI=1S/C26H34O2/c1-21(2)19-25(28-24-14-7-4-8-15-24)18-17-23-13-9-10-16-26(23)27-20-22-11-5-3-6-12-22/h3,5-6,9-13,16,19,24-25H,4,7-8,14-15,17-18,20H2,1-2H3
InChIKeyOPCAHUGJTXGDJU-UHFFFAOYSA-N
XLogP6.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene
CID 158571667
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665
4-[2-(2-phenylmethoxyphenyl)ethyl]piperidine
CID 142656770
2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene
CID 11121904
3-cyclobutyloxybutylbenzene
CID 177473923
trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol
CID 18653088
1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene
CID 160519985
cyclopentyl 3,4-dimethyl-2-oxo-6-(2-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate
CID 2864157
5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one
CID 154984487
1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol
CID 160819489
(2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol
CID 173039005
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 4720524

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene?
The IUPAC name of 1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene (CID 24881576) is 1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene.
What is the SMILES notation for 1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene?
The canonical SMILES for 1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene is CC(C)=CC(CCc1ccccc1OCc1ccccc1)OC1CCCCC1.
What is the InChIKey of 1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene?
The InChIKey is OPCAHUGJTXGDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2/c1-21(2)19-25(28-24-14-7-4-8-15-24)18-17-23-13-9-10-16-26(23)27-20-22-11-5-3-6-12-22/h3,5-6,9-13,16,19,24-25H,4,7-8,14-15,17-18,20H2,1-2H3.
What are the key properties of 1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene?
1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene has a molecular weight of 378.56 g/mol, XLogP of 6.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene is sourced from PubChem (CID 24881576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).