2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene

C19H23ClO2 — CID 10687073

IUPAC2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene
SMILESCCc1ccc(OCc2ccccc2)cc1OCCCCCl
InChIInChI=1S/C19H23ClO2/c1-2-17-10-11-18(14-19(17)21-13-7-6-12-20)22-15-16-8-4-3-5-9-16/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3
InChIKeyKCYBWDQVJAWBEJ-UHFFFAOYSA-N
MW318.84 g/mol
LogP5.23
Rot. Bonds9

About 2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene

2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene (PubChem CID 10687073) has the molecular formula C19H23ClO2 and a molecular weight of 318.84 g/mol. Its IUPAC name is 2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene
PubChem CID10687073
Molecular FormulaC19H23ClO2
Molecular Weight318.84 g/mol
Exact Mass318.14
IUPAC Name2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene
SMILESCCc1ccc(OCc2ccccc2)cc1OCCCCCl
InChIInChI=1S/C19H23ClO2/c1-2-17-10-11-18(14-19(17)21-13-7-6-12-20)22-15-16-8-4-3-5-9-16/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3
InChIKeyKCYBWDQVJAWBEJ-UHFFFAOYSA-N
XLogP5.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.84
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
1-butyl-4-phenylmethoxy-2-propoxybenzene
CID 139774121
2,4-bis(phenylmethoxy)-1-undecoxybenzene
CID 172808268
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
[2,4-bis(phenylmethoxy)phenyl]methyl formate
CID 87851163
[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 22087416
N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804142
1-(2-decoxy-5-phenylmethoxyphenyl)ethanone
CID 86036913
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene?
The IUPAC name of 2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene (CID 10687073) is 2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene.
What is the SMILES notation for 2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene?
The canonical SMILES for 2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene is CCc1ccc(OCc2ccccc2)cc1OCCCCCl.
What is the InChIKey of 2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene?
The InChIKey is KCYBWDQVJAWBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO2/c1-2-17-10-11-18(14-19(17)21-13-7-6-12-20)22-15-16-8-4-3-5-9-16/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3.
What are the key properties of 2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene?
2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene has a molecular weight of 318.84 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene is sourced from PubChem (CID 10687073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).