1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C28H38O — CID 58660419

IUPAC1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(OCc4ccccc4)cc3)CC2)CC1
InChIInChI=1S/C28H38O/c1-2-6-22-9-11-24(12-10-22)25-13-15-26(16-14-25)27-17-19-28(20-18-27)29-21-23-7-4-3-5-8-23/h3-5,7-8,17-20,22,24-26H,2,6,9-16,21H2,1H3
InChIKeyANFHBXHJQKRTJV-UHFFFAOYSA-N
MW390.61 g/mol
LogP8.15
Rot. Bonds7

About 1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 58660419) has the molecular formula C28H38O and a molecular weight of 390.61 g/mol. Its IUPAC name is 1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID58660419
Molecular FormulaC28H38O
Molecular Weight390.61 g/mol
Exact Mass390.29
IUPAC Name1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(OCc4ccccc4)cc3)CC2)CC1
InChIInChI=1S/C28H38O/c1-2-6-22-9-11-24(12-10-22)25-13-15-26(16-14-25)27-17-19-28(20-18-27)29-21-23-7-4-3-5-8-23/h3-5,7-8,17-20,22,24-26H,2,6,9-16,21H2,1H3
InChIKeyANFHBXHJQKRTJV-UHFFFAOYSA-N
XLogP8.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
CID 102047471
pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523486
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
(4aR,6R,8aR)-2-pentyl-6-[4-(4-phenylmethoxyphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809464
1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
CID 22440333
(4-propylcyclohexyl)benzene
CID 155887669
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
pentakis(4-[[4-(4-butylcyclohexyl)phenyl]methoxy]benzenethiol);pentahydrofluoride
CID 173376017
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 58660419) is 1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3ccc(OCc4ccccc4)cc3)CC2)CC1.
What is the InChIKey of 1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is ANFHBXHJQKRTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O/c1-2-6-22-9-11-24(12-10-22)25-13-15-26(16-14-25)27-17-19-28(20-18-27)29-21-23-7-4-3-5-8-23/h3-5,7-8,17-20,22,24-26H,2,6,9-16,21H2,1H3.
What are the key properties of 1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 390.61 g/mol, XLogP of 8.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 58660419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).