2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene

C37H32O5 — CID 101190162

IUPAC2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene
SMILESc1ccc(COCOCOc2ccc3ccccc3c2-c2c(OCOCc3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C37H32O5/c1-3-11-28(12-4-1)23-38-25-40-27-42-35-22-20-31-16-8-10-18-33(31)37(35)36-32-17-9-7-15-30(32)19-21-34(36)41-26-39-24-29-13-5-2-6-14-29/h1-22H,23-27H2
InChIKeyCENUXYFVRQTPKL-UHFFFAOYSA-N
MW556.66 g/mol
LogP8.74
Rot. Bonds13

About 2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene

2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene (PubChem CID 101190162) has the molecular formula C37H32O5 and a molecular weight of 556.66 g/mol. Its IUPAC name is 2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene
PubChem CID101190162
Molecular FormulaC37H32O5
Molecular Weight556.66 g/mol
Exact Mass556.22
IUPAC Name2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene
SMILESc1ccc(COCOCOc2ccc3ccccc3c2-c2c(OCOCc3ccccc3)ccc3ccccc23)cc1
InChIInChI=1S/C37H32O5/c1-3-11-28(12-4-1)23-38-25-40-27-42-35-22-20-31-16-8-10-18-33(31)37(35)36-32-17-9-7-15-30(32)19-21-34(36)41-26-39-24-29-13-5-2-6-14-29/h1-22H,23-27H2
InChIKeyCENUXYFVRQTPKL-UHFFFAOYSA-N
XLogP8.74
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane
CID 16689049
2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
CID 11227562
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 169258581
dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 23421218
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
2-[1-[2-[[4-[[1-[2-(hydroxymethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetic acid
CID 169262013
2-(2-phenylmethoxynaphthalen-1-yl)-1,3-benzothiazole
CID 126198654
2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine
CID 15956875
2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene
CID 11175897
[1-[2-[bis(4-fluorophenyl)phosphanylmethoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl-bis(4-fluorophenyl)phosphane
CID 18984010
2-[[1-[2-[(1-carboxynaphthalen-2-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-1-carboxylic acid
CID 171648145

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene?
The IUPAC name of 2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene (CID 101190162) is 2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene.
What is the SMILES notation for 2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene?
The canonical SMILES for 2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene is c1ccc(COCOCOc2ccc3ccccc3c2-c2c(OCOCc3ccccc3)ccc3ccccc23)cc1.
What is the InChIKey of 2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene?
The InChIKey is CENUXYFVRQTPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32O5/c1-3-11-28(12-4-1)23-38-25-40-27-42-35-22-20-31-16-8-10-18-33(31)37(35)36-32-17-9-7-15-30(32)19-21-34(36)41-26-39-24-29-13-5-2-6-14-29/h1-22H,23-27H2.
What are the key properties of 2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene?
2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene has a molecular weight of 556.66 g/mol, XLogP of 8.74, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene is sourced from PubChem (CID 101190162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).