7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol

C33H29ClO4 — CID 23038551

IUPAC7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol
SMILESCCc1ccc(Oc2c(Oc3ccc(CC)cc3)c(OCc3ccccc3)c3ccc(Cl)cc3c2O)cc1
InChIInChI=1S/C33H29ClO4/c1-3-22-10-15-26(16-11-22)37-32-30(35)29-20-25(34)14-19-28(29)31(36-21-24-8-6-5-7-9-24)33(32)38-27-17-12-23(4-2)13-18-27/h5-20,35H,3-4,21H2,1-2H3
InChIKeyASYIMARAWRUQIE-UHFFFAOYSA-N
MW525.04 g/mol
LogP9.49
Rot. Bonds9

About 7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol

7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol (PubChem CID 23038551) has the molecular formula C33H29ClO4 and a molecular weight of 525.04 g/mol. Its IUPAC name is 7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol.

Molecular Properties

Compound Name7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol
PubChem CID23038551
Molecular FormulaC33H29ClO4
Molecular Weight525.04 g/mol
Exact Mass524.18
IUPAC Name7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol
SMILESCCc1ccc(Oc2c(Oc3ccc(CC)cc3)c(OCc3ccccc3)c3ccc(Cl)cc3c2O)cc1
InChIInChI=1S/C33H29ClO4/c1-3-22-10-15-26(16-11-22)37-32-30(35)29-20-25(34)14-19-28(29)31(36-21-24-8-6-5-7-9-24)33(32)38-27-17-12-23(4-2)13-18-27/h5-20,35H,3-4,21H2,1-2H3
InChIKeyASYIMARAWRUQIE-UHFFFAOYSA-N
XLogP9.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.04
LogP ≤ 59.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol?
The IUPAC name of 7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol (CID 23038551) is 7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol.
What is the SMILES notation for 7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol?
The canonical SMILES for 7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol is CCc1ccc(Oc2c(Oc3ccc(CC)cc3)c(OCc3ccccc3)c3ccc(Cl)cc3c2O)cc1.
What is the InChIKey of 7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol?
The InChIKey is ASYIMARAWRUQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29ClO4/c1-3-22-10-15-26(16-11-22)37-32-30(35)29-20-25(34)14-19-28(29)31(36-21-24-8-6-5-7-9-24)33(32)38-27-17-12-23(4-2)13-18-27/h5-20,35H,3-4,21H2,1-2H3.
What are the key properties of 7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol?
7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol has a molecular weight of 525.04 g/mol, XLogP of 9.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-ol is sourced from PubChem (CID 23038551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).