3-chloro-2,6-bis(2-phenylethoxy)naphthalene

C26H23ClO2 — CID 121473068

IUPAC3-chloro-2,6-bis(2-phenylethoxy)naphthalene
SMILESClc1cc2cc(OCCc3ccccc3)ccc2cc1OCCc1ccccc1
InChIInChI=1S/C26H23ClO2/c27-25-18-23-17-24(28-15-13-20-7-3-1-4-8-20)12-11-22(23)19-26(25)29-16-14-21-9-5-2-6-10-21/h1-12,17-19H,13-16H2
InChIKeyPVTOYHUQXUBECS-UHFFFAOYSA-N
MW402.92 g/mol
LogP6.74
Rot. Bonds8

About 3-chloro-2,6-bis(2-phenylethoxy)naphthalene

3-chloro-2,6-bis(2-phenylethoxy)naphthalene (PubChem CID 121473068) has the molecular formula C26H23ClO2 and a molecular weight of 402.92 g/mol. Its IUPAC name is 3-chloro-2,6-bis(2-phenylethoxy)naphthalene.

Molecular Properties

Compound Name3-chloro-2,6-bis(2-phenylethoxy)naphthalene
PubChem CID121473068
Molecular FormulaC26H23ClO2
Molecular Weight402.92 g/mol
Exact Mass402.14
IUPAC Name3-chloro-2,6-bis(2-phenylethoxy)naphthalene
SMILESClc1cc2cc(OCCc3ccccc3)ccc2cc1OCCc1ccccc1
InChIInChI=1S/C26H23ClO2/c27-25-18-23-17-24(28-15-13-20-7-3-1-4-8-20)12-11-22(23)19-26(25)29-16-14-21-9-5-2-6-10-21/h1-12,17-19H,13-16H2
InChIKeyPVTOYHUQXUBECS-UHFFFAOYSA-N
XLogP6.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.92
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-phenylpropoxy)naphthalene
CID 13432986
4-chloro-7-(2-phenylethoxy)quinoline
CID 78324294
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
3-chloro-4-(2-phenylethoxy)benzonitrile
CID 60667396
dimethyl-[3-(2-phenylethoxy)phenyl]borane;methane
CID 158698082
3,8-bis(2-phenylethoxy)quinoline
CID 100915268
1,4-dichloro-2-[2-(4-methoxyphenyl)ethoxy]benzene
CID 71628376
3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine
CID 123925563
naphthalen-2-yl 4-(2-phenylethoxy)benzoate
CID 23012279
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine
CID 10064569
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-bis(2-phenylethoxy)naphthalene?
The IUPAC name of 3-chloro-2,6-bis(2-phenylethoxy)naphthalene (CID 121473068) is 3-chloro-2,6-bis(2-phenylethoxy)naphthalene.
What is the SMILES notation for 3-chloro-2,6-bis(2-phenylethoxy)naphthalene?
The canonical SMILES for 3-chloro-2,6-bis(2-phenylethoxy)naphthalene is Clc1cc2cc(OCCc3ccccc3)ccc2cc1OCCc1ccccc1.
What is the InChIKey of 3-chloro-2,6-bis(2-phenylethoxy)naphthalene?
The InChIKey is PVTOYHUQXUBECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClO2/c27-25-18-23-17-24(28-15-13-20-7-3-1-4-8-20)12-11-22(23)19-26(25)29-16-14-21-9-5-2-6-10-21/h1-12,17-19H,13-16H2.
What are the key properties of 3-chloro-2,6-bis(2-phenylethoxy)naphthalene?
3-chloro-2,6-bis(2-phenylethoxy)naphthalene has a molecular weight of 402.92 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-bis(2-phenylethoxy)naphthalene is sourced from PubChem (CID 121473068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).