2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene

C29H31BrO6 — CID 11387346

IUPAC2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene
SMILESCOc1cc2ccccc2cc1OCCOCCOc1cc2ccccc2cc1OCCOCCBr
InChIInChI=1S/C29H31BrO6/c1-31-26-18-22-6-2-3-7-23(22)19-27(26)34-16-13-33-14-17-36-29-21-25-9-5-4-8-24(25)20-28(29)35-15-12-32-11-10-30/h2-9,18-21H,10-17H2,1H3
InChIKeyJCLMOKFEMSUBDW-UHFFFAOYSA-N
MW555.47 g/mol
LogP6.27
Rot. Bonds15

About 2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene

2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene (PubChem CID 11387346) has the molecular formula C29H31BrO6 and a molecular weight of 555.47 g/mol. Its IUPAC name is 2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene.

Molecular Properties

Compound Name2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene
PubChem CID11387346
Molecular FormulaC29H31BrO6
Molecular Weight555.47 g/mol
Exact Mass554.13
IUPAC Name2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene
SMILESCOc1cc2ccccc2cc1OCCOCCOc1cc2ccccc2cc1OCCOCCBr
InChIInChI=1S/C29H31BrO6/c1-31-26-18-22-6-2-3-7-23(22)19-27(26)34-16-13-33-14-17-36-29-21-25-9-5-4-8-24(25)20-28(29)35-15-12-32-11-10-30/h2-9,18-21H,10-17H2,1H3
InChIKeyJCLMOKFEMSUBDW-UHFFFAOYSA-N
XLogP6.27
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.47
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-[2-[4,5-bis(bromomethyl)-2-methoxyphenoxy]ethoxy]ethoxy]-4,5-bis(bromomethyl)-2-methoxybenzene
CID 101021543
3-[2-[2-[2-[2-[2-[2-[2-[2-(3-hydroxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-ol
CID 101421766
2,3-bis[2-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene
CID 139335952
5,12,19-tris(2-bromoethoxy)-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 52921450
1-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methoxy-4-methylbenzene
CID 2283053
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
3-[2-[2-[3-[2-[2-(3-sulfopropoxy)ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]propane-1-sulfonic acid
CID 139335958
2,3-bis[2-(2-methoxyethoxy)ethoxy]phenazine
CID 156904974
4-[2-[2-[2-[2-[3-[2-[2-[2-[2-(4-sulfobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonic acid
CID 139335910
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
1-(3-bromopropoxy)-2,4-dimethoxybenzene
CID 119089808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene?
The IUPAC name of 2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene (CID 11387346) is 2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene.
What is the SMILES notation for 2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene?
The canonical SMILES for 2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene is COc1cc2ccccc2cc1OCCOCCOc1cc2ccccc2cc1OCCOCCBr.
What is the InChIKey of 2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene?
The InChIKey is JCLMOKFEMSUBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31BrO6/c1-31-26-18-22-6-2-3-7-23(22)19-27(26)34-16-13-33-14-17-36-29-21-25-9-5-4-8-24(25)20-28(29)35-15-12-32-11-10-30/h2-9,18-21H,10-17H2,1H3.
What are the key properties of 2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene?
2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene has a molecular weight of 555.47 g/mol, XLogP of 6.27, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromoethoxy)ethoxy]-3-[2-[2-(3-methoxynaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene is sourced from PubChem (CID 11387346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).