1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene

C27H32O — CID 71073454

IUPAC1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene
SMILESCCC(C)c1ccc(OCC2CCC(c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C27H32O/c1-3-20(2)22-15-17-25(18-16-22)28-19-21-11-13-24(14-12-21)27-10-6-8-23-7-4-5-9-26(23)27/h4-10,15-18,20-21,24H,3,11-14,19H2,1-2H3
InChIKeyUYABSLZSKHRCSH-UHFFFAOYSA-N
MW372.55 g/mol
LogP7.71
Rot. Bonds6

About 1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene

1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene (PubChem CID 71073454) has the molecular formula C27H32O and a molecular weight of 372.55 g/mol. Its IUPAC name is 1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene.

Molecular Properties

Compound Name1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene
PubChem CID71073454
Molecular FormulaC27H32O
Molecular Weight372.55 g/mol
Exact Mass372.25
IUPAC Name1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene
SMILESCCC(C)c1ccc(OCC2CCC(c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C27H32O/c1-3-20(2)22-15-17-25(18-16-22)28-19-21-11-13-24(14-12-21)27-10-6-8-23-7-4-5-9-26(23)27/h4-10,15-18,20-21,24H,3,11-14,19H2,1-2H3
InChIKeyUYABSLZSKHRCSH-UHFFFAOYSA-N
XLogP7.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene
CID 107669089
(3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine
CID 26190819
1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
CID 171689372
2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine
CID 107668609
[5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
CID 107668362
2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
CID 918616
cyclopropylmethoxybenzene
CID 12712156
(1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine
CID 118928761
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
CID 166703301
2-[(4-butan-2-ylphenoxy)methoxy]-1,3-diphenylbenzene
CID 89251443
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene?
The IUPAC name of 1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene (CID 71073454) is 1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene.
What is the SMILES notation for 1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene?
The canonical SMILES for 1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene is CCC(C)c1ccc(OCC2CCC(c3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene?
The InChIKey is UYABSLZSKHRCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O/c1-3-20(2)22-15-17-25(18-16-22)28-19-21-11-13-24(14-12-21)27-10-6-8-23-7-4-5-9-26(23)27/h4-10,15-18,20-21,24H,3,11-14,19H2,1-2H3.
What are the key properties of 1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene?
1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene has a molecular weight of 372.55 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-butan-2-ylphenoxy)methyl]cyclohexyl]naphthalene is sourced from PubChem (CID 71073454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).