1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene

C27H30O2 — CID 71260606

IUPAC1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C2CCCCC2)cc1
InChIInChI=1S/C27H30O2/c1-28-25-17-13-23(14-18-25)27(21-9-5-3-6-10-21,22-11-7-4-8-12-22)24-15-19-26(29-2)20-16-24/h3,5-6,9-10,13-20,22H,4,7-8,11-12H2,1-2H3
InChIKeyHOQLYSJVOUMQCM-UHFFFAOYSA-N
MW386.54 g/mol
LogP6.62
Rot. Bonds6

About 1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene

1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene (PubChem CID 71260606) has the molecular formula C27H30O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
PubChem CID71260606
Molecular FormulaC27H30O2
Molecular Weight386.54 g/mol
Exact Mass386.22
IUPAC Name1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C2CCCCC2)cc1
InChIInChI=1S/C27H30O2/c1-28-25-17-13-23(14-18-25)27(21-9-5-3-6-10-21,22-11-7-4-8-12-22)24-15-19-26(29-2)20-16-24/h3,5-6,9-10,13-20,22H,4,7-8,11-12H2,1-2H3
InChIKeyHOQLYSJVOUMQCM-UHFFFAOYSA-N
XLogP6.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene?
The IUPAC name of 1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene (CID 71260606) is 1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene?
The canonical SMILES for 1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene is COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C2CCCCC2)cc1.
What is the InChIKey of 1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene?
The InChIKey is HOQLYSJVOUMQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O2/c1-28-25-17-13-23(14-18-25)27(21-9-5-3-6-10-21,22-11-7-4-8-12-22)24-15-19-26(29-2)20-16-24/h3,5-6,9-10,13-20,22H,4,7-8,11-12H2,1-2H3.
What are the key properties of 1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene?
1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene has a molecular weight of 386.54 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene is sourced from PubChem (CID 71260606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).