[6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate

C30H23NO5 — CID 145268209

IUPAC[6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate
SMILESNc1ccc(C(=O)Oc2ccc3c(c2)CCC(c2ccc(OC(=O)c4ccc(O)cc4)cc2)=C3)cc1
InChIInChI=1S/C30H23NO5/c31-25-10-3-20(4-11-25)30(34)36-28-16-9-23-17-22(1-2-24(23)18-28)19-7-14-27(15-8-19)35-29(33)21-5-12-26(32)13-6-21/h3-18,32H,1-2,31H2
InChIKeyLYCJNYGOUVRVBP-UHFFFAOYSA-N
MW477.52 g/mol
LogP5.90
Rot. Bonds5

About [6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate

[6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate (PubChem CID 145268209) has the molecular formula C30H23NO5 and a molecular weight of 477.52 g/mol. Its IUPAC name is [6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate.

Molecular Properties

Compound Name[6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate
PubChem CID145268209
Molecular FormulaC30H23NO5
Molecular Weight477.52 g/mol
Exact Mass477.16
IUPAC Name[6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate
SMILESNc1ccc(C(=O)Oc2ccc3c(c2)CCC(c2ccc(OC(=O)c4ccc(O)cc4)cc2)=C3)cc1
InChIInChI=1S/C30H23NO5/c31-25-10-3-20(4-11-25)30(34)36-28-16-9-23-17-22(1-2-24(23)18-28)19-7-14-27(15-8-19)35-29(33)21-5-12-26(32)13-6-21/h3-18,32H,1-2,31H2
InChIKeyLYCJNYGOUVRVBP-UHFFFAOYSA-N
XLogP5.90
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
CID 54018499
[4-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate;4-(4-aminophenoxy)aniline;4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline
CID 167612006
phenyl 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 68524918
(4-methylphenyl) 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 59193574
(6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate
CID 155221961
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
[3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate
CID 6612290
4-[4-(4-aminophenoxy)carbonylbenzoyl]oxybenzoic acid
CID 163886316
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
CID 70557557

Frequently Asked Questions

What is the IUPAC name of [6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate?
The IUPAC name of [6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate (CID 145268209) is [6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate.
What is the SMILES notation for [6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate?
The canonical SMILES for [6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate is Nc1ccc(C(=O)Oc2ccc3c(c2)CCC(c2ccc(OC(=O)c4ccc(O)cc4)cc2)=C3)cc1.
What is the InChIKey of [6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate?
The InChIKey is LYCJNYGOUVRVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NO5/c31-25-10-3-20(4-11-25)30(34)36-28-16-9-23-17-22(1-2-24(23)18-28)19-7-14-27(15-8-19)35-29(33)21-5-12-26(32)13-6-21/h3-18,32H,1-2,31H2.
What are the key properties of [6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate?
[6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate has a molecular weight of 477.52 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate is sourced from PubChem (CID 145268209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).