2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene

C16H17ClO — CID 106870271

IUPAC2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
SMILESCCc1ccccc1OCc1ccc(C)cc1Cl
InChIInChI=1S/C16H17ClO/c1-3-13-6-4-5-7-16(13)18-11-14-9-8-12(2)10-15(14)17/h4-10H,3,11H2,1-2H3
InChIKeyKZKRACHVTBDTET-UHFFFAOYSA-N
MW260.76 g/mol
LogP4.79
Rot. Bonds4

About 2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene

2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene (PubChem CID 106870271) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
PubChem CID106870271
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
SMILESCCc1ccccc1OCc1ccc(C)cc1Cl
InChIInChI=1S/C16H17ClO/c1-3-13-6-4-5-7-16(13)18-11-14-9-8-12(2)10-15(14)17/h4-10H,3,11H2,1-2H3
InChIKeyKZKRACHVTBDTET-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 106861648
1-[(2-chloro-4-methylphenyl)methoxy]naphthalene
CID 106870276
2-[(2-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64766047
3-chloro-4-[(2-ethylphenoxy)methyl]benzenecarbothioamide
CID 102666566
(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861855
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414
4-chloro-3-[(2-ethylphenoxy)methyl]aniline
CID 43364206
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone
CID 106863595
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
CID 106861515
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene?
The IUPAC name of 2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene (CID 106870271) is 2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene.
What is the SMILES notation for 2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene?
The canonical SMILES for 2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene is CCc1ccccc1OCc1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene?
The InChIKey is KZKRACHVTBDTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-3-13-6-4-5-7-16(13)18-11-14-9-8-12(2)10-15(14)17/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene?
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene has a molecular weight of 260.76 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene is sourced from PubChem (CID 106870271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).