1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene

C25H27ClO2 — CID 21269875

IUPAC1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene
SMILESCOc1ccc(Oc2cccc(CCCC(C)(C)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C25H27ClO2/c1-25(2,20-9-11-21(26)12-10-20)17-5-7-19-6-4-8-24(18-19)28-23-15-13-22(27-3)14-16-23/h4,6,8-16,18H,5,7,17H2,1-3H3
InChIKeyJOEXRNGJXLRVSY-UHFFFAOYSA-N
MW394.94 g/mol
LogP7.44
Rot. Bonds8

About 1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene

1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene (PubChem CID 21269875) has the molecular formula C25H27ClO2 and a molecular weight of 394.94 g/mol. Its IUPAC name is 1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene
PubChem CID21269875
Molecular FormulaC25H27ClO2
Molecular Weight394.94 g/mol
Exact Mass394.17
IUPAC Name1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene
SMILESCOc1ccc(Oc2cccc(CCCC(C)(C)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C25H27ClO2/c1-25(2,20-9-11-21(26)12-10-20)17-5-7-19-6-4-8-24(18-19)28-23-15-13-22(27-3)14-16-23/h4,6,8-16,18H,5,7,17H2,1-3H3
InChIKeyJOEXRNGJXLRVSY-UHFFFAOYSA-N
XLogP7.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.94
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269950
1-[chloro(difluoro)methoxy]-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 14155768
1-(2,2-dichloroethenoxy)-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269733
1-chloro-4-[3-methyl-6-[3-(4-methylphenoxy)phenyl]hexan-3-yl]benzene
CID 21269895
2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene
CID 21269674
1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269797
4-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-2-(3-methylphenoxy)benzene
CID 21269768
1-butan-2-yloxy-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269835
1-chloro-4-[6-[3-(4-fluorophenoxy)phenyl]-3-methylhex-1-yn-3-yl]benzene
CID 88645740
1-[4-methyl-4-(4-nitrophenyl)pentyl]-3-phenoxybenzene
CID 21269669
1-ethoxy-4-[6-[3-(4-methoxyphenoxy)phenyl]-3-methylhex-1-yn-3-yl]benzene
CID 88645587
1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene
CID 21269746

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene?
The IUPAC name of 1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene (CID 21269875) is 1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene is COc1ccc(Oc2cccc(CCCC(C)(C)c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene?
The InChIKey is JOEXRNGJXLRVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClO2/c1-25(2,20-9-11-21(26)12-10-20)17-5-7-19-6-4-8-24(18-19)28-23-15-13-22(27-3)14-16-23/h4,6,8-16,18H,5,7,17H2,1-3H3.
What are the key properties of 1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene?
1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene has a molecular weight of 394.94 g/mol, XLogP of 7.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene is sourced from PubChem (CID 21269875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).