methyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate

C34H29ClO4 — CID 142679052

IUPACmethyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate
SMILESCOC(=O)COc1ccc2cc(-c3ccc(C)cc3)c(OCc3ccccc3)cc2c1Cc1ccccc1Cl
InChIInChI=1S/C34H29ClO4/c1-23-12-14-25(15-13-23)29-18-26-16-17-32(39-22-34(36)37-2)30(19-27-10-6-7-11-31(27)35)28(26)20-33(29)38-21-24-8-4-3-5-9-24/h3-18,20H,19,21-22H2,1-2H3
InChIKeySOVMQFQBRRKRSB-UHFFFAOYSA-N
MW537.06 g/mol
LogP8.19
Rot. Bonds9

About methyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate

methyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate (PubChem CID 142679052) has the molecular formula C34H29ClO4 and a molecular weight of 537.06 g/mol. Its IUPAC name is methyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate
PubChem CID142679052
Molecular FormulaC34H29ClO4
Molecular Weight537.06 g/mol
Exact Mass536.18
IUPAC Namemethyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate
SMILESCOC(=O)COc1ccc2cc(-c3ccc(C)cc3)c(OCc3ccccc3)cc2c1Cc1ccccc1Cl
InChIInChI=1S/C34H29ClO4/c1-23-12-14-25(15-13-23)29-18-26-16-17-32(39-22-34(36)37-2)30(19-27-10-6-7-11-31(27)35)28(26)20-33(29)38-21-24-8-4-3-5-9-24/h3-18,20H,19,21-22H2,1-2H3
InChIKeySOVMQFQBRRKRSB-UHFFFAOYSA-N
XLogP8.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.06
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol
CID 142679099
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
methyl 2-(2-benzylphenoxy)acetate
CID 43237517
1-chloro-6-methyl-2-phenylmethoxynaphthalene
CID 143228673
2-chloro-5-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]benzoic acid
CID 17058514
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 59786429
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate
CID 18739332
2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide
CID 23019842
N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide
CID 10557530

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate?
The IUPAC name of methyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate (CID 142679052) is methyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate.
What is the SMILES notation for methyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate?
The canonical SMILES for methyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate is COC(=O)COc1ccc2cc(-c3ccc(C)cc3)c(OCc3ccccc3)cc2c1Cc1ccccc1Cl.
What is the InChIKey of methyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate?
The InChIKey is SOVMQFQBRRKRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29ClO4/c1-23-12-14-25(15-13-23)29-18-26-16-17-32(39-22-34(36)37-2)30(19-27-10-6-7-11-31(27)35)28(26)20-33(29)38-21-24-8-4-3-5-9-24/h3-18,20H,19,21-22H2,1-2H3.
What are the key properties of methyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate?
methyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate has a molecular weight of 537.06 g/mol, XLogP of 8.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate is sourced from PubChem (CID 142679052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).