butane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane

C24H39ClO — CID 142992216

IUPACbutane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane
SMILESCC.CC.CCCC.CCc1ccc(OCc2c(C)cccc2Cl)cc1
InChIInChI=1S/C16H17ClO.C4H10.2C2H6/c1-3-13-7-9-14(10-8-13)18-11-15-12(2)5-4-6-16(15)17;1-3-4-2;2*1-2/h4-10H,3,11H2,1-2H3;3-4H2,1-2H3;2*1-2H3
InChIKeyOCWIUUQZTGZSNC-UHFFFAOYSA-N
MW379.03 g/mol
LogP8.65
Rot. Bonds5

About butane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane

butane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane (PubChem CID 142992216) has the molecular formula C24H39ClO and a molecular weight of 379.03 g/mol. Its IUPAC name is butane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane.

Molecular Properties

Compound Namebutane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane
PubChem CID142992216
Molecular FormulaC24H39ClO
Molecular Weight379.03 g/mol
Exact Mass378.27
IUPAC Namebutane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane
SMILESCC.CC.CCCC.CCc1ccc(OCc2c(C)cccc2Cl)cc1
InChIInChI=1S/C16H17ClO.C4H10.2C2H6/c1-3-13-7-9-14(10-8-13)18-11-15-12(2)5-4-6-16(15)17;1-3-4-2;2*1-2/h4-10H,3,11H2,1-2H3;3-4H2,1-2H3;2*1-2H3
InChIKeyOCWIUUQZTGZSNC-UHFFFAOYSA-N
XLogP8.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.03
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane?
The IUPAC name of butane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane (CID 142992216) is butane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane.
What is the SMILES notation for butane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane?
The canonical SMILES for butane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane is CC.CC.CCCC.CCc1ccc(OCc2c(C)cccc2Cl)cc1.
What is the InChIKey of butane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane?
The InChIKey is OCWIUUQZTGZSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO.C4H10.2C2H6/c1-3-13-7-9-14(10-8-13)18-11-15-12(2)5-4-6-16(15)17;1-3-4-2;2*1-2/h4-10H,3,11H2,1-2H3;3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane?
butane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane has a molecular weight of 379.03 g/mol, XLogP of 8.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane is sourced from PubChem (CID 142992216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).