2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene

C17H19ClO2 — CID 50888745

IUPAC2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene
SMILESCC(C)COc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C17H19ClO2/c1-13(2)11-20-17-9-8-15(10-16(17)18)19-12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3
InChIKeyYITSYTUPFLATOI-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.95
Rot. Bonds6

About 2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene

2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene (PubChem CID 50888745) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene
PubChem CID50888745
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene
SMILESCC(C)COc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C17H19ClO2/c1-13(2)11-20-17-9-8-15(10-16(17)18)19-12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3
InChIKeyYITSYTUPFLATOI-UHFFFAOYSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene
CID 50888763
2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene
CID 50888850
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
1-butan-2-yl-2-chloro-4-phenylmethoxybenzene
CID 123587275
1-(2-chloro-5-phenylmethoxyphenyl)ethanol
CID 83988712
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
N-(2-methylpropoxy)-1-(4-phenylmethoxyphenyl)methanamine
CID 82710597
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene?
The IUPAC name of 2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene (CID 50888745) is 2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene.
What is the SMILES notation for 2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene?
The canonical SMILES for 2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene is CC(C)COc1ccc(OCc2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene?
The InChIKey is YITSYTUPFLATOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-13(2)11-20-17-9-8-15(10-16(17)18)19-12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene?
2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene has a molecular weight of 290.79 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene is sourced from PubChem (CID 50888745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).